Molecular Properties | |
SMILES: | O=C(CCl)N1CCC(C(=O)N2CSCO2)CC1 |
MW: | 278.05 |
Fraction sp3: | 0.8 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 49.85 |
cLogP: | 0.89 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MAK-UNK-704ed37c-6
0.582
MAK-UNK-704ed37c-2
0.564
MAK-UNK-704ed37c-5
0.545
MAK-UNK-704ed37c-8
0.544
MAK-UNK-704ed37c-4
0.518
MAR-TRE-6a44bbf2-79
0.491
MAK-UNK-750cfbcc-3
0.491
AAR-POS-0daf6b7e-9
0.473
MAK-UNK-750cfbcc-5
0.473
VIR-GIT-7b3d3065-2
0.473
MAK-UNK-4b073b5c-18
0.469
MAK-UNK-704ed37c-3
0.466
MAK-UNK-704ed37c-7
0.458
MAK-UNK-750cfbcc-1
0.451
MAK-UNK-704ed37c-1
0.448
MAR-TRE-6a44bbf2-66
0.419
MAK-UNK-750cfbcc-4
0.419
MAK-UNK-750cfbcc-2
0.418
YOI-UNK-15f562e8-2
0.413
SAD-SAT-d8079f6f-4
0.392
SAD-SAT-5b1897b2-9
0.389
VIR-GIT-7b3d3065-3
0.383
AAR-POS-0daf6b7e-19
0.383
MAK-UNK-6c8f5f75-1
0.370
YOI-UNK-15f562e8-5
0.365
MAR-TRE-6a44bbf2-86
0.364
LON-WEI-120e5cf5-15
0.364
LON-WEI-120e5cf5-20
0.358
SAD-SAT-29425be4-14
0.356
SAD-SAT-f2e2579e-3
0.355
LON-WEI-120e5cf5-10
0.348
MAK-UNK-4b073b5c-16
0.347
SAD-SAT-9a6c5cf3-10
0.346
SAD-SAT-bc31ec01-2
0.346
WAR-XCH-b0339bbe-18
0.345
SAD-SAT-f2e2579e-5
0.342
SAD-SAT-1b030f84-9
0.340
MAK-UNK-704ed37c-15
0.339
LON-WEI-120e5cf5-5
0.338
LON-WEI-120e5cf5-16
0.338
MAK-UNK-c97f7c8f-1
0.338
SAD-SAT-d8079f6f-5
0.333
LON-WEI-120e5cf5-11
0.333
MAK-UNK-95198336-6
0.333
SAD-SAT-d8079f6f-3
0.333
BEN-DND-76ad4ac9-4
0.333
SAD-SAT-9a6c5cf3-5
0.333
SAD-SAT-f2e2579e-10
0.329
MAK-UNK-c97f7c8f-2
0.329
MAR-TRE-6a44bbf2-15
0.329
AAR-POS-0daf6b7e-6
0.329
SAD-SAT-6b5a89f0-6
0.327
SAD-SAT-d8079f6f-6
0.327
SAD-SAT-29425be4-4
0.326
SAD-SAT-f2e2579e-8
0.325
YOI-UNK-12211982-2
0.324
YOI-UNK-a533afbc-2
0.324
SAD-SAT-29425be4-21
0.324
LON-WEI-120e5cf5-13
0.324
MAK-UNK-212f693e-10
0.324
LON-WEI-120e5cf5-8
0.322
YOI-UNK-a533afbc-1
0.322
YOI-UNK-12211982-1
0.322
SAD-SAT-f2e2579e-9
0.321
SAD-SAT-9a6c5cf3-6
0.321
MAK-UNK-f983951f-21
0.321
LON-WEI-120e5cf5-19
0.320
MAK-UNK-3d7e3904-1
0.320
SAD-SAT-9a6c5cf3-3
0.319
MAK-UNK-6ca90168-11
0.318
SAD-SAT-9a6c5cf3-2
0.317
SAD-SAT-f2e2579e-6
0.317
MAK-UNK-704ed37c-17
0.317
LON-WEI-120e5cf5-1
0.316
LON-WEI-120e5cf5-17
0.316
AAR-POS-5507155c-2
0.316
AAR-POS-f650c5f2-4
0.316
MAK-UNK-3d7e3904-2
0.316
MAK-UNK-3d7e3904-3
0.316
MAK-UNK-4b073b5c-17
0.315
SAD-SAT-f2e2579e-4
0.313
SAD-SAT-9a6c5cf3-7
0.313
SAD-SAT-9a6c5cf3-9
0.313
SAD-SAT-29425be4-23
0.312
MAK-UNK-95198336-3
0.312
JAR-IMP-ed466bb3-20
0.311
LON-WEI-120e5cf5-3
0.311
AAR-POS-0daf6b7e-5
0.309
MAK-UNK-212f693e-32
0.309
LON-WEI-120e5cf5-4
0.308
SAD-SAT-29425be4-15
0.308
SAD-SAT-29425be4-20
0.308
SAD-SAT-9a6c5cf3-1
0.308
SAD-SAT-f2e2579e-7
0.307
SAD-SAT-edc8a235-3
0.305
MAK-UNK-704ed37c-16
0.305
SAD-SAT-29425be4-12
0.305
MAK-UNK-212f693e-13
0.304
LON-WEI-120e5cf5-21
0.303
AAR-POS-0daf6b7e-21
0.302