zincid
stringlengths 8
16
| smiles
stringlengths 9
107
| dockscore
float64 -118.83
39.4
| id
stringlengths 12
12
| scaffold
stringlengths 5
102
⌀ | mwt
float64 249
349
| clogp
float64 -5.12
4.16
| tpsa
float64 0
234
|
|---|---|---|---|---|---|---|---|
ZINC000058006568 | CN(C)C1(CNCc2ccc(Cl)cc2)CCCC1 | -16.65 | SCB-70011029 | c1ccc(CNCC2CCCC2)cc1 | 266.154976 | 3.304 | 15.27 |
ZINC000103230387 | COC(=O)[C@@H]1CN(CCCOc2cc(C)cc(C)c2)CCO1 | -33.22 | SCB-73838397 | c1ccc(OCCCN2CCOCC2)cc1 | 307.178358 | 1.94614 | 48 |
ZINC000431569156 | CC(C)[C@H]1N(S(=O)(=O)CCCF)CC1(C)C | -19.54 | SCB-45851029 | C1CNC1 | 251.135528 | 2.0422 | 37.38 |
ZINC000431569154 | CC[C@H]1CC[C@H](NS(=O)(=O)c2scnc2C(=O)OC)CC1 | -49.43 | SCB-26370498 | O=S(=O)(NC1CCCCC1)c1cncs1 | 332.086449 | 2.1768 | 85.36 |
ZINC000431569155 | CC(C)[C@@H]1N(S(=O)(=O)CCCF)CC1(C)C | -26.36 | SCB-38866389 | C1CNC1 | 251.135528 | 2.0422 | 37.38 |
ZINC000431569152 | CCC(C)(C)CC[S@@](=O)Cc1nnnn1C1CCOCC1 | -30.98 | SCB-14995394 | c1nnnn1C1CCOCC1 | 314.177647 | 2.0996 | 69.9 |
ZINC000431569151 | CCC(C)(C)CC[S@](=O)Cc1nnnn1C1CCOCC1 | -22.31 | SCB-71057250 | c1nnnn1C1CCOCC1 | 314.177647 | 2.0996 | 69.9 |
ZINC000426584865 | COc1ncc(C(=O)N[C@@H](CC(C)C)c2ncnn2C)cn1 | -32.51 | SCB-74488807 | O=C(NCc1ncn[nH]1)c1cncnc1 | 304.164774 | 1.1309 | 94.82 |
ZINC000426584863 | COc1ncc(C(=O)N[C@H](CC(C)C)c2ncnn2C)cn1 | -25.87 | SCB-92318418 | O=C(NCc1ncn[nH]1)c1cncnc1 | 304.164774 | 1.1309 | 94.82 |
ZINC000426584861 | O=C(NCCOc1ccccc1Cl)N1CCC(F)CC1 | -39.42 | SCB-39914718 | O=C(NCCOc1ccccc1)N1CCCCC1 | 300.104084 | 2.8623 | 41.57 |
ZINC000426584860 | CCCc1cc(NC(=O)C(=O)Nc2ccc(F)cc2OCC)n[nH]1 | -38.97 | SCB-70519316 | O=C(Nc1ccccc1)C(=O)Nc1cc[nH]n1 | 334.144119 | 2.4772 | 96.11 |
ZINC000174967282 | CC(=O)c1ccc(C)cc1OS(=O)(=O)c1cn(CC(C)C)cn1 | -26.43 | SCB-82161197 | O=S(=O)(Oc1ccccc1)c1c[nH]cn1 | 336.114378 | 2.81782 | 78.26 |
ZINC000216612212 | COC(=O)[C@@H]1CCCN1S(=O)(=O)N(C)C(C)C | -34.9 | SCB-11314569 | C1CCNC1 | 264.114378 | 0.2088 | 66.92 |
ZINC000049345414 | CCOC(=O)NCCC(=O)Oc1ccccc1-c1ccccc1 | -38.14 | SCB-10314349 | c1ccc(-c2ccccc2)cc1 | 313.131408 | 3.3952 | 64.63 |
ZINC000455541101 | CO[C@@H](C1CC1)[C@H](C)NC(=O)N1CCc2ccc(O)cc2C1 | -27.01 | SCB-20712968 | O=C(NCCC1CC1)N1CCc2ccccc2C1 | 304.178693 | 2.2734 | 61.8 |
ZINC000340058534 | CC(C)Oc1ccccc1CNC(=O)C(=O)N1CCC[C@H]1C1CCC1 | -36.89 | SCB-38838953 | O=C(NCc1ccccc1)C(=O)N1CCC[C@H]1C1CCC1 | 344.209993 | 2.8811 | 58.64 |
ZINC000126917825 | C[C@]1(CNC(=O)NCCC(=O)Nc2ccccc2)CCCO1 | -29.66 | SCB-65365464 | O=C(CCNC(=O)NCC1CCCO1)Nc1ccccc1 | 305.173942 | 1.8835 | 79.46 |
ZINC000126917822 | CCNC(=O)C1CN(C(=O)c2ccc(Br)c(C)c2)C1 | -34.14 | SCB-80003683 | O=C(c1ccccc1)N1CCC1 | 324.04734 | 1.96562 | 49.41 |
ZINC000340058535 | CC(C)Oc1ccccc1CNC(=O)C(=O)N1CCC[C@@H]1C1CCC1 | -31.69 | SCB-11201006 | O=C(NCc1ccccc1)C(=O)N1CCC[C@@H]1C1CCC1 | 344.209993 | 2.8811 | 58.64 |
ZINC000457565268 | C[C@H](Cc1cnn(C)c1)C(=O)Nc1ccccc1OCC1CC1 | -30.2 | SCB-49908352 | O=C(CCc1cn[nH]c1)Nc1ccccc1OCC1CC1 | 313.179027 | 3.0262 | 56.15 |
ZINC000457565269 | C[C@@H](Cc1cnn(C)c1)C(=O)Nc1ccccc1OCC1CC1 | -38.87 | SCB-77931239 | O=C(CCc1cn[nH]c1)Nc1ccccc1OCC1CC1 | 313.179027 | 3.0262 | 56.15 |
ZINC000457565261 | Cn1nccc1[C@@H](CO)NC(=O)NCC1(c2ccccc2)CC1 | -27.01 | SCB-22203162 | O=C(NCc1ccn[nH]1)NCC1(c2ccccc2)CC1 | 314.174276 | 1.4845 | 79.18 |
ZINC000412824959 | COC(=O)[C@@H](C)c1ccc(NC(=O)Cc2ccc(C)c(OC)c2)cc1 | -28.33 | SCB-11100674 | O=C(Cc1ccccc1)Nc1ccccc1 | 341.162708 | 3.46132 | 64.63 |
ZINC000412824958 | CC(C)(Oc1cccc(Cl)c1)C(=O)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 | -32.42 | SCB-80819883 | O=C(COc1ccccc1)N1C[C@@H]2CCCC[C@H]2C1 | 337.144471 | 3.1168 | 49.77 |
ZINC000412824953 | CC(C)(Oc1cccc(Cl)c1)C(=O)N1C[C@H]2C[C@@H](O)CC[C@H]2C1 | -32.1 | SCB-62390355 | O=C(COc1ccccc1)N1C[C@H]2CCCC[C@H]2C1 | 337.144471 | 3.1168 | 49.77 |
ZINC000412824951 | CC[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCC(F)(F)[C@H]2O)CCO1 | -24.79 | SCB-40152399 | O=C(NC1CCCCC1)C1CCOCC1 | 291.1646 | 1.8565 | 58.56 |
ZINC000412824956 | CC(C)(Oc1cccc(Cl)c1)C(=O)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 | -28.87 | SCB-50140844 | O=C(COc1ccccc1)N1C[C@@H]2CCCC[C@H]2C1 | 337.144471 | 3.1168 | 49.77 |
ZINC000412824955 | CC(C)(Oc1cccc(Cl)c1)C(=O)N1C[C@H]2C[C@H](O)CC[C@H]2C1 | -31.71 | SCB-11074798 | O=C(COc1ccccc1)N1C[C@H]2CCCC[C@H]2C1 | 337.144471 | 3.1168 | 49.77 |
ZINC000412824954 | CC[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC(F)(F)[C@H]2O)CCO1 | -27.61 | SCB-84953325 | O=C(NC1CCCCC1)C1CCOCC1 | 291.1646 | 1.8565 | 58.56 |
ZINC000359184835 | CCc1nn(C)cc1NC(=O)C(=O)N1CCO[C@H](CNC(C)=O)C1 | -37.61 | SCB-20360949 | O=C(Nc1cn[nH]c1)C(=O)N1CCOCC1 | 337.175004 | -0.7155 | 105.56 |
ZINC000359184834 | CCc1nc(C(=O)NCc2cn3cccc(C)c3n2)no1 | -33.58 | SCB-10539896 | O=C(NCc1cn2ccccc2n1)c1ncon1 | 285.122575 | 1.51812 | 85.32 |
ZINC000359184837 | O=C(CS(=O)(=O)CCC(F)(F)F)N1CCc2ccccc21 | -29.06 | SCB-86161953 | c1ccc2c(c1)CCN2 | 321.064649 | 1.9429 | 54.45 |
ZINC000359184836 | C[C@H](C[S@](C)=O)N(C)C(=O)Nc1cccc(C(=O)N(C)C)c1 | -45.51 | SCB-61291887 | c1ccccc1 | 325.146013 | 1.6191 | 69.72 |
ZINC000359184831 | CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2cccc(OCC)n2)CC1 | -22.13 | SCB-41693360 | c1ccc(N2CCNCC2)nc1 | 349.21139 | 0.8365 | 86.8 |
ZINC000359184830 | CN1CCC[C@H](NC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)C1=O | -30.59 | SCB-79809635 | O=C1NCCC[C@@H]1NC(=O)N1CCCCC1 | 335.182062 | 2.2272 | 52.65 |
ZINC000415099668 | CC(C)NS(=O)(=O)Cc1ccccc1CN[C@H]1CCNC1 | -26 | SCB-56140910 | c1ccc(CN[C@H]2CCNC2)cc1 | 311.166748 | 0.9659 | 70.23 |
ZINC000359184832 | CN1CCC[C@H](NC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)C1=O | -25.91 | SCB-11408054 | O=C1NCCC[C@@H]1NC(=O)N1CCCCC1 | 335.182062 | 2.2272 | 52.65 |
ZINC000563944580 | CC(C)c1nc(S(=O)(=O)N2CCSC3(CCC3)CC2)cn1C | -25.15 | SCB-10398107 | O=S(=O)(c1c[nH]cn1)N1CCSC2(CCC2)CC1 | 343.138819 | 2.5938 | 55.2 |
ZINC000563944581 | CC1(CS(=O)(=O)N[C@@H]2COCc3ccccc32)COC1 | -23.65 | SCB-79464545 | O=S(=O)(CC1COC1)N[C@@H]1COCc2ccccc21 | 297.103479 | 1.2138 | 64.63 |
ZINC000563944582 | CC1(CS(=O)(=O)N[C@H]2COCc3ccccc32)COC1 | -32.75 | SCB-32562956 | O=S(=O)(CC1COC1)N[C@H]1COCc2ccccc21 | 297.103479 | 1.2138 | 64.63 |
ZINC000563944584 | O=C(NCC1(CCO)CCCCC1)c1nc2c(s1)CCC2 | -36.48 | SCB-61043742 | O=C(NCC1CCCCC1)c1nc2c(s1)CCC2 | 308.155849 | 2.6945 | 62.22 |
ZINC000359184838 | CCc1nc(C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)no1 | -34.69 | SCB-94367157 | O=C(c1ncon1)N1CCC[C@@H](c2ccn[nH]2)C1 | 343.125609 | 2.3937 | 87.91 |
ZINC000563944586 | COc1cc(-c2noc(-c3cccc(C)c3)n2)cc(C)n1 | -31.58 | SCB-63127937 | c1ccc(-c2nc(-c3ccncc3)no2)cc1 | 281.116427 | 3.42404 | 61.04 |
ZINC000415099661 | CO[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CCCO3)[C@H](CN)C1 | -23.52 | SCB-45383228 | O=C(Nc1ccc2c(c1)CCCO2)N1CCCCC1 | 319.189592 | 1.9816 | 76.82 |
ZINC000262416935 | C=CCCCCCN(C)C(=O)c1cc(N)ccc1C | -29.16 | SCB-56538561 | c1ccccc1 | 260.188863 | 3.39562 | 46.33 |
ZINC000262416932 | C[C@@H]1CCN[C@H](C(=O)Nc2cccc(-c3nnnn3C)c2)C1 | -31.99 | SCB-13724490 | O=C(Nc1cccc(-c2nnn[nH]2)c1)[C@@H]1CCCCN1 | 300.169859 | 1.2037 | 84.73 |
ZINC000340058538 | CCOCCNC(=O)C(=O)NC[C@@H]1CCN(CC(C)C)C1 | -15.4 | SCB-41681516 | C1CCNC1 | 299.220892 | 0.2332 | 70.67 |
ZINC000277694511 | c1ccc(-c2coc(SC[C@@H]3CCOCO3)n2)cc1 | -28.86 | SCB-98785187 | c1ccc(-c2coc(SC[C@@H]3CCOCO3)n2)cc1 | 277.077264 | 3.1967 | 44.49 |
ZINC000345667905 | Cc1nc(C)c(CCNC(=O)C(=O)N(C[C@@H](C)O)[C@@H](C)CO)s1 | -33.98 | SCB-25426162 | c1cscn1 | 343.156577 | 0.00884 | 102.76 |
ZINC000283290391 | COc1ccc(CN(CC2CC2)C(=O)c2ccc(O)nc2)c(OC)c1 | -29.95 | SCB-55502252 | O=C(c1cccnc1)N(Cc1ccccc1)CC1CC1 | 342.157957 | 2.8568 | 71.89 |
ZINC000372064186 | C#CCC(C)(C)C(=O)NCc1ccc(-c2cccnc2)cc1 | -31.97 | SCB-33096013 | c1ccc(-c2cccnc2)cc1 | 292.157563 | 3.4143 | 41.99 |
ZINC000283290394 | CCc1csc(CC(=O)N2CC[C@H](CN(CC)CC)C2)n1 | -27.78 | SCB-22793231 | O=C(Cc1nccs1)N1CCCC1 | 309.187483 | 2.4383 | 36.44 |
ZINC000283290395 | CC[C@H]1CN(c2nnc(-c3cc(C)oc3C)n2C)CCN1CCOC | -39.32 | SCB-32176087 | c1cc(-c2nnc(N3CCNCC3)[nH]2)co1 | 347.232125 | 2.23894 | 59.56 |
ZINC000283290396 | CC[C@@H]1CN(c2nnc(-c3cc(C)oc3C)n2C)CCN1CCOC | -41.41 | SCB-10103501 | c1cc(-c2nnc(N3CCNCC3)[nH]2)co1 | 347.232125 | 2.23894 | 59.56 |
ZINC000372064182 | N#Cc1ccc([N+](=O)[O-])c(Nc2cnn(-c3ncccc3F)c2)c1 | -35.44 | SCB-44701122 | c1ccc(Nc2cnn(-c3ccccn3)c2)cc1 | 324.077102 | 2.92988 | 109.67 |
ZINC000283290398 | Cc1ccccc1-c1nnc(N2CCC([C@@H]3CCCO3)CC2)n1C | -43.16 | SCB-49254395 | c1ccc(-c2nnc(N3CCC([C@@H]4CCCO4)CC3)[nH]2)cc1 | 326.210661 | 3.18592 | 43.18 |
ZINC000283290399 | Cc1ccccc1-c1nnc(N2CCC([C@H]3CCCO3)CC2)n1C | -44.87 | SCB-16333222 | c1ccc(-c2nnc(N3CCC([C@H]4CCCO4)CC3)[nH]2)cc1 | 326.210661 | 3.18592 | 43.18 |
ZINC000370013765 | COC[C@@H](NC(=O)N1CCCC[C@H](CO)C1)c1ccccc1 | -26.85 | SCB-69573856 | O=C(NCc1ccccc1)N1CCCCCC1 | 306.194343 | 2.1781 | 61.8 |
ZINC000489975714 | CCCN(CCC)C(=O)CNC1(CC(=O)OC)CCOCC1 | -9.13 | SCB-10229574 | C1CCOCC1 | 314.220557 | 1.3369 | 67.87 |
ZINC000343309569 | C[C@@H](CN1CCCCCC1)NC(=O)C(=O)NCCN(C)C1CC1 | -15.77 | SCB-94419005 | O=C(NCCNC1CC1)C(=O)NCCN1CCCCCC1 | 324.252526 | 0.5775 | 64.68 |
ZINC000276658633 | CC[C@@H](C)CC(=O)NC1(c2cccc(C#N)c2)CC1 | -31.26 | SCB-53082393 | c1ccc(C2CC2)cc1 | 256.157563 | 3.09978 | 52.89 |
ZINC000532378414 | CC[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCn2nc(COC)nc21 | -30.22 | SCB-20858469 | O=C(CCc1ccccc1)N[C@H]1CCCn2ncnc21 | 342.205576 | 2.6445 | 69.04 |
ZINC000489247111 | CCc1ccc(CC(=O)N[C@H]2CCOC3(CCC3)C2)cc1 | -29.99 | SCB-57181919 | O=C(Cc1ccccc1)N[C@H]1CCOC2(CCC2)C1 | 287.188529 | 3.0094 | 38.33 |
ZINC000457135517 | COc1cccc(C(=O)N2CC(C)(CC(F)(F)F)C2)c1 | -26.64 | SCB-78332863 | O=C(c1ccccc1)N1CCC1 | 287.113313 | 3.1097 | 29.54 |
ZINC000276658635 | CC(C)=CCCNC(=O)c1cnc2n(c1=O)CCS2 | -17.95 | SCB-34829359 | O=c1ccnc2n1CCS2 | 279.104148 | 1.4351 | 63.99 |
ZINC000532378412 | CC[C@H](Cc1ccccc1)C(=O)N[C@H]1CCCn2nc(COC)nc21 | -30.12 | SCB-24748648 | O=C(CCc1ccccc1)N[C@H]1CCCn2ncnc21 | 342.205576 | 2.6445 | 69.04 |
ZINC000113384155 | CCS(=O)(=O)C[C@H](C)N(C)C(=O)NCc1c(C)cc(C)cc1C | -25.14 | SCB-78289962 | c1ccccc1 | 340.182064 | 2.57646 | 66.48 |
ZINC000276658639 | CC[C@H](C)CC(=O)NC1(c2cccc(C#N)c2)CC1 | -31.09 | SCB-46067752 | c1ccc(C2CC2)cc1 | 256.157563 | 3.09978 | 52.89 |
ZINC000445183717 | C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)C1 | -35.41 | SCB-65319694 | O=C(Nc1cn[nH]c1)C(=O)NC1CCCC1 | 321.18009 | 0.2146 | 96.33 |
ZINC000370013760 | COc1cccc(NC(=O)CN2CC[C@@H](Cc3cnn(C)c3)C2)c1 | -41.35 | SCB-77125548 | O=C(CN1CC[C@@H](Cc2cn[nH]c2)C1)Nc1ccccc1 | 328.189926 | 1.9318 | 59.39 |
ZINC000489247114 | CCc1ccc(CC(=O)N[C@@H]2CCOC3(CCC3)C2)cc1 | -25.01 | SCB-41297795 | O=C(Cc1ccccc1)N[C@@H]1CCOC2(CCC2)C1 | 287.188529 | 3.0094 | 38.33 |
ZINC000370013762 | C[C@H]1CN(C(=O)NCc2cccnc2-n2cncn2)C(C)(C)C1 | -33.09 | SCB-30618882 | O=C(NCc1cccnc1-n1cncn1)N1CCCC1 | 314.185509 | 1.9923 | 75.94 |
ZINC000448358861 | COCCN(Cc1cncs1)Cc1cnc(C(C)C)s1 | -29.01 | SCB-64302720 | c1ncc(CNCc2cncs2)s1 | 311.112604 | 3.3716 | 38.25 |
ZINC000448358864 | COCCN(Cc1ccnn1C)Cc1ccnn1-c1ccccc1 | -28.49 | SCB-10375368 | c1ccc(-n2nccc2CNCc2ccn[nH]2)cc1 | 325.19026 | 2.2544 | 48.11 |
ZINC000246622322 | CCN(C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1)[C@@H](C)c1cccnc1 | -42.97 | SCB-78475455 | O=C(NCc1cccnc1)NC[C@@H]1CCCO1 | 320.184841 | 1.207 | 97.55 |
ZINC000432664710 | CCn1cc(OCC(=O)Nc2c(C)cccc2C)cn1 | -33.65 | SCB-96858341 | O=C(COc1cn[nH]c1)Nc1ccccc1 | 273.147727 | 2.53734 | 56.15 |
ZINC000420444837 | O=S(=O)(c1cccc2c(Cl)ccnc12)N1C[C@H]2CNC[C@H]2C1 | -22.74 | SCB-14827456 | O=S(=O)(c1cccc2cccnc12)N1C[C@H]2CNC[C@H]2C1 | 337.065175 | 1.7281 | 62.3 |
ZINC000577319354 | CN(CC(C)(C)C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 | -30.35 | SCB-98330691 | c1ccc2[nH]ccc2c1 | 332.184841 | 3.3061 | 91.27 |
ZINC000435710777 | NC(=O)C[C@H]1CCCCN1C(=O)C1CCC(C(=O)O)CC1 | -33.52 | SCB-48392614 | O=C(C1CCCCC1)N1CCCCC1 | 296.173607 | 1.1339 | 100.7 |
ZINC000456172858 | Cc1ccncc1CNC(=O)CN(C)C(=O)c1cccs1 | -40.51 | SCB-58192719 | O=C(CNC(=O)c1cccs1)NCc1cccnc1 | 303.104148 | 1.83992 | 62.3 |
ZINC000456172856 | COc1ccc2c(c1)CN(C(=O)[C@@H](C)NC(C)=O)CCO2 | -28.31 | SCB-20033415 | c1ccc2c(c1)CNCCO2 | 292.142307 | 0.9408 | 67.87 |
ZINC000456172857 | CCN1C[C@@H](NC(=O)c2ccccc2S(=O)(=O)CC)CC1=O | -29.19 | SCB-38801512 | O=C1C[C@H](NC(=O)c2ccccc2)CN1 | 324.114378 | 0.8308 | 83.55 |
ZINC000456172855 | CCN1C[C@H](NC(=O)c2ccccc2S(=O)(=O)CC)CC1=O | -27.45 | SCB-62059227 | O=C1C[C@@H](NC(=O)c2ccccc2)CN1 | 324.114378 | 0.8308 | 83.55 |
ZINC000435710778 | NC(=O)C[C@H]1CCCCN1C(=O)[C@H]1CC[C@H](C(=O)O)CC1 | -51.58 | SCB-75741653 | O=C(C1CCCCC1)N1CCCCC1 | 296.173607 | 1.1339 | 100.7 |
ZINC000456172853 | COc1ccc2c(c1)CN(C(=O)[C@H](C)NC(C)=O)CCO2 | -26.1 | SCB-68101540 | c1ccc2c(c1)CNCCO2 | 292.142307 | 0.9408 | 67.87 |
ZINC000456172850 | Cc1ccncc1CNC(=O)c1cccnc1OCC(F)(F)F | -37.43 | SCB-10722615 | O=C(NCc1cccnc1)c1cccnc1 | 325.103811 | 2.65612 | 64.11 |
ZINC000456172851 | Cc1ccncc1CNC(=O)Cc1ccc(NC(=O)C2CC2)cc1 | -34.67 | SCB-46668629 | O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccnc1 | 323.163377 | 2.59742 | 71.09 |
ZINC000277022090 | CC1(C)CCC[C@@H](NC(=O)[C@@](C)(O)CN2Cc3ccccc3C2=O)C1 | -33.51 | SCB-18465742 | O=C(CCN1Cc2ccccc2C1=O)NC1CCCCC1 | 344.209993 | 2.4784 | 69.64 |
ZINC000277022093 | COc1ccc(OC)c(NC(=O)C(=O)Nc2cc(C3CC3)n[nH]2)c1 | -30.18 | SCB-39839767 | O=C(Nc1ccccc1)C(=O)Nc1cc(C2CC2)n[nH]1 | 330.132805 | 1.8815 | 105.34 |
ZINC000277022092 | CC1(C)CCC[C@H](NC(=O)[C@@](C)(O)CN2Cc3ccccc3C2=O)C1 | -34.19 | SCB-99639134 | O=C(CCN1Cc2ccccc2C1=O)NC1CCCCC1 | 344.209993 | 2.4784 | 69.64 |
ZINC000277022094 | Cc1ccc([C@@H]2CSCCN2S(=O)(=O)C2COC2)cc1 | -26.77 | SCB-10937894 | O=S(=O)(C1COC1)N1CCSC[C@H]1c1ccccc1 | 313.080635 | 1.81352 | 46.61 |
ZINC000534670140 | O=C1CC[C@H](NCC2(c3ccc(Cl)cc3)CC2)CCN1 | -20.73 | SCB-76939322 | O=C1CC[C@H](NCC2(c3ccccc3)CC2)CCN1 | 292.134241 | 2.6299 | 41.13 |
ZINC000534670141 | O=C1CC[C@@H](NCC2(c3ccc(Cl)cc3)CC2)CCN1 | -15.61 | SCB-10104082 | O=C1CC[C@@H](NCC2(c3ccccc3)CC2)CCN1 | 292.134241 | 2.6299 | 41.13 |
ZINC000330563991 | C[C@@H]1C[C@@H](C)CN(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 | -18.81 | SCB-80195009 | O=C(NCCN1CCCCC1)c1ccc[nH]1 | 308.184841 | 2.0191 | 91.27 |
ZINC000534670148 | Cn1c(Sc2ccc(C(N)=O)cn2)nnc1C1CCNCC1 | -31.59 | SCB-88565298 | c1ccc(Sc2nnc(C3CCNCC3)[nH]2)nc1 | 318.12628 | 0.9272 | 98.72 |
ZINC000534670149 | Cc1cccc(=O)n1CCC(=O)N[C@@H]1CC=CC[C@H]1C(N)=O | -41.05 | SCB-84386314 | O=C(CCn1ccccc1=O)N[C@@H]1CC=CCC1 | 303.158292 | 0.48312 | 94.19 |
ZINC000376544218 | O=C(NC[C@@H]1[C@H]2COC[C@@H]12)NC(C1CCC1)C1CCC1 | -25.85 | SCB-17436005 | O=C(NC[C@@H]1[C@H]2COC[C@@H]12)NC(C1CCC1)C1CCC1 | 278.199428 | 2.1468 | 50.36 |
ZINC000452352985 | O=C(CSc1ccc2c(c1)CCC2)NC[C@@H]1CCCN1CCCO | -24.03 | SCB-11040949 | O=C(CSc1ccc2c(c1)CCC2)NC[C@@H]1CCCN1 | 348.187149 | 2.2304 | 52.57 |
ZINC000428486938 | CNC(=O)[C@@H](NC(=O)N[C@H]1CCCC[C@@H]1c1ccccc1)C(C)C | -22.23 | SCB-98772460 | c1ccc(C2CCCCC2)cc1 | 331.225977 | 2.7826 | 70.23 |
ZINC000428486939 | CNC(=O)[C@@H](NC(=O)N[C@H]1CCCC[C@H]1c1ccccc1)C(C)C | -24.15 | SCB-98615374 | c1ccc(C2CCCCC2)cc1 | 331.225977 | 2.7826 | 70.23 |