Molecule Details
| Molecular Properties | |
| SMILES: | O=C(CCl)N1CCCSCC1 |
| MW: | 193.03 |
| Fraction sp3: | 0.86 |
| HBA: | 2 |
| HBD: | 0 |
| Rotatable Bonds: | 1 |
| TPSA: | 20.31 |
| cLogP: | 1.19 |
| Covalent Warhead: | ✔️ |
| Covalent Fragment: | ✔️ |
| Source | |
| MolPort: | MolPort-013-719-115 |
MAK-UNK-4b073b5c-16
0.486
MAK-UNK-95198336-3
0.486
MAK-UNK-4b073b5c-17
0.463
SAD-SAT-d8079f6f-5
0.462
SAD-SAT-d8079f6f-3
0.462
SAD-SAT-d8079f6f-6
0.450
SAD-SAT-1b030f84-9
0.444
MAK-UNK-704ed37c-4
0.396
MAK-UNK-95198336-6
0.395
MAK-UNK-704ed37c-10
0.391
AAR-POS-0daf6b7e-21
0.381
MAK-UNK-704ed37c-13
0.375
SAD-SAT-bc31ec01-2
0.372
MAK-UNK-f983951f-21
0.372
MAK-UNK-704ed37c-11
0.372
MAK-UNK-704ed37c-12
0.370
VIK-SYN-9a3d118a-1
0.367
SAD-SAT-d8079f6f-4
0.364
MAR-TRE-6a44bbf2-79
0.360
MAK-UNK-750cfbcc-3
0.360
MAK-UNK-95198336-4
0.359
TOB-UNK-c2aba166-1
0.354
MAK-UNK-6ca90168-16
0.348
MAK-UNK-987948f6-5
0.348
VIK-SYN-bf9c9ac8-2
0.347
VIR-GIT-7b3d3065-2
0.346
MAK-UNK-750cfbcc-5
0.346
AAR-POS-0daf6b7e-9
0.346
MAK-UNK-750cfbcc-1
0.340
MAK-UNK-6ca90168-17
0.340
MAK-UNK-6c8f5f75-1
0.340
MAK-UNK-6ca90168-18
0.340
SAD-SAT-5b1897b2-9
0.333
MAK-UNK-987948f6-4
0.333
SAD-SAT-1b030f84-8
0.333
MAK-UNK-95198336-7
0.325
JOH-UNI-27ac80fd-25
0.321
VIK-SYN-bf9c9ac8-1
0.320
YOI-UNK-15f562e8-4
0.320
SAD-SAT-65574d3f-5
0.320
MAR-TRE-6a44bbf2-87
0.315
VIK-SYN-9a3d118a-4
0.315
VIK-SYN-bf9c9ac8-7
0.315
WAR-XCH-b0339bbe-18
0.314
MAK-UNK-750cfbcc-2
0.314
AAR-POS-0daf6b7e-17
0.310
LON-WEI-8f408cad-5
0.310
AAR-POS-0daf6b7e-19
0.309
DRR-IMP-11d47bff-1
0.309
VIR-GIT-7b3d3065-3
0.309
MAK-UNK-52a1ef4b-1
0.308
JOH-UNI-27ac80fd-4
0.305
MAR-TRE-6a44bbf2-66
0.305
MAK-UNK-704ed37c-9
0.305
MAK-UNK-750cfbcc-4
0.305
SAD-SAT-6b5a89f0-2
0.304
SWA-SYN-d2e6fa14-5
0.304
MAK-UNK-52a1ef4b-2
0.304
SWA-SYN-6423ea73-5
0.304
MAK-UNK-6ca90168-20
0.304
SAD-SAT-65574d3f-6
0.302
MAK-UNK-d4768348-5
0.300
SAD-SAT-65574d3f-7
0.300
SAD-SAT-1b030f84-5
0.298
AAR-POS-0daf6b7e-16
0.298
MAK-UNK-704ed37c-5
0.298
MAK-UNK-6c8f5f75-2
0.296
MAK-UNK-95198336-11
0.295
NEH-REV-107bcf72-5
0.295
MAK-UNK-704ed37c-16
0.294
KAT-UNK-c8a6cb16-1
0.293
SAD-SAT-5b1897b2-1
0.293
MAK-UNK-704ed37c-7
0.293
AAR-POS-0daf6b7e-13
0.293
LON-WEI-8f408cad-7
0.293
MAK-UNK-212f693e-8
0.293
MAK-UNK-704ed37c-2
0.293
AHN-SAT-de2502ba-7
0.293
SAD-SAT-edc8a235-10
0.292
SAD-SAT-6b5a89f0-6
0.292
DRR-IMP-38dce17f-3
0.291
MAK-UNK-7c9d1431-24
0.291
MAK-UNK-987948f6-2
0.291
MAK-UNK-d4768348-6
0.290
MAK-UNK-987948f6-15
0.290
JOH-UNI-27ac80fd-30
0.290
BEN-DND-76ad4ac9-8
0.290
MAK-UNK-e4a48a85-14
0.288
AAR-POS-0daf6b7e-2
0.288
SAD-SAT-bc31ec01-1
0.288
MAK-UNK-704ed37c-6
0.288
BEN-DND-03406596-5
0.288
BEN-DND-76ad4ac9-13
0.288
SAD-SAT-5b1897b2-6
0.286
MAR-TRE-6a44bbf2-56
0.286
MAK-UNK-95198336-5
0.286
MIH-UNI-e573136b-11
0.286
DRR-IMP-db50bf6e-3
0.286
MAK-UNK-7c9d1431-21
0.286
MAK-UNK-7c9d1431-29
0.286