Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(C(=O)N2C=CSC2)CC1 |
MW: | 275.05 |
Fraction sp3: | 0.6 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 43.86 |
cLogP: | 0.97 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-7
MAK-UNK-52a1ef4b-3
0.538
MAK-UNK-4b073b5c-20
0.511
SAD-SAT-1b030f84-9
0.475
MAK-UNK-704ed37c-10
0.449
MAK-UNK-52a1ef4b-1
0.442
MAK-UNK-704ed37c-13
0.431
AAR-POS-0daf6b7e-21
0.413
MAK-UNK-704ed37c-11
0.404
DRR-IMP-db50bf6e-3
0.386
MAK-UNK-6ca90168-16
0.380
MAK-UNK-987948f6-5
0.380
MAK-UNK-6ca90168-20
0.379
MAK-UNK-704ed37c-12
0.373
MAK-UNK-6ca90168-17
0.373
MAK-UNK-6ca90168-18
0.373
MAK-UNK-987948f6-2
0.368
SAD-SAT-5b1897b2-9
0.365
MAK-UNK-987948f6-4
0.365
SAD-SAT-1b030f84-8
0.365
AHN-SAT-de2502ba-8
0.356
SAD-SAT-3a925b8b-5
0.356
AAR-POS-d2a4d1df-25
0.356
DRR-IMP-db50bf6e-1
0.356
VIK-SYN-bf9c9ac8-1
0.352
VIK-SYN-bf9c9ac8-2
0.352
YOI-UNK-15f562e8-4
0.352
SAD-SAT-1b030f84-5
0.350
JOH-UNI-27ac80fd-25
0.350
AAR-POS-0daf6b7e-16
0.350
MAK-UNK-4b073b5c-16
0.348
SAD-SAT-bc31ec01-2
0.347
VIK-SYN-9a3d118a-1
0.345
MAK-UNK-212f693e-8
0.344
AAR-POS-0daf6b7e-13
0.344
LON-WEI-8f408cad-7
0.344
MAK-UNK-95198336-3
0.341
MAK-UNK-7c9d1431-29
0.339
SAD-SAT-bc31ec01-1
0.339
SAD-SAT-1b030f84-4
0.339
MAK-UNK-987948f6-3
0.339
SIM-SYN-f15aaa3a-1
0.333
AAR-POS-d2a4d1df-29
0.333
MAT-POS-ee51dedd-2
0.333
SAD-SAT-3a925b8b-4
0.333
MAR-TRE-6a44bbf2-61
0.333
MAK-UNK-212f693e-9
0.333
NIM-UNI-310206f0-6
0.333
MAK-UNK-95198336-6
0.333
SAD-SAT-d8079f6f-5
0.333
SAD-SAT-d8079f6f-3
0.333
TOB-UNK-c2aba166-1
0.333
AAR-POS-d2a4d1df-32
0.328
LON-WEI-8f408cad-2
0.328
MAR-TRE-6a44bbf2-4
0.328
SAD-SAT-5b1897b2-10
0.328
SAD-SAT-3a925b8b-1
0.328
SAD-SAT-d8079f6f-6
0.327
MAK-UNK-212f693e-13
0.323
MAK-UNK-212f693e-10
0.323
AHN-SAT-de2502ba-7
0.323
DRR-IMP-dff87f5e-4
0.323
MAK-UNK-6ca90168-10
0.323
DRR-IMP-38dce17f-3
0.322
MAR-TRE-6a44bbf2-87
0.322
VIK-SYN-bf9c9ac8-7
0.322
VIK-SYN-9a3d118a-4
0.322
MAK-UNK-7c9d1431-24
0.322
WAR-XCH-b0339bbe-18
0.321
MAK-UNK-750cfbcc-1
0.321
MAK-UNK-f983951f-21
0.320
NIM-UNI-310206f0-7
0.319
AAR-POS-d2a4d1df-44
0.317
LON-WEI-8f408cad-5
0.317
MAK-UNK-6ca90168-15
0.317
ASH-SAT-43770c7d-10
0.317
AAR-POS-0daf6b7e-17
0.317
AAR-POS-0daf6b7e-2
0.317
DRR-IMP-dff87f5e-3
0.317
SAD-SAT-5b1897b2-6
0.317
MAT-POS-162a9720-4
0.317
MED-COV-4280ac29-37
0.315
SAD-SAT-d8079f6f-4
0.314
MAK-UNK-4b073b5c-17
0.314
JOH-UNI-27ac80fd-23
0.312
AAR-POS-0daf6b7e-15
0.312
SAD-SAT-581007d4-5
0.312
MAR-TRE-6a44bbf2-52
0.312
LON-WEI-8f408cad-3
0.312
DRR-IMP-db50bf6e-5
0.312
AAR-POS-0daf6b7e-12
0.312
AAR-POS-d2a4d1df-22
0.312
DRR-IMP-38dce17f-6
0.311
PAU-UNI-8cdd41c7-1
0.311
MIH-UNI-e573136b-5
0.310
GIA-UNK-7337c2f3-1
0.309
MAK-UNK-6ca90168-1
0.309
MAK-UNK-6ca90168-6
0.309
MED-COV-4280ac29-6
0.308
SWA-SYN-6423ea73-1
0.308
SWA-SYN-d2e6fa14-1
0.308