Molecular Properties | |
SMILES: | O=C(CCl)N1CSCCO1 |
MW: | 181.0 |
Fraction sp3: | 0.8 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 29.54 |
cLogP: | 0.69 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
AAR-POS-0daf6b7e-20
MAK-UNK-4b073b5c-18
0.583
MAK-UNK-95198336-5
0.515
MAK-UNK-4b073b5c-19
0.436
MAK-UNK-4b073b5c-17
0.400
MAK-UNK-95198336-6
0.400
MAK-UNK-95198336-8
0.378
MAK-UNK-95198336-10
0.341
MAK-UNK-4b073b5c-21
0.333
MAK-UNK-704ed37c-9
0.327
MAK-UNK-4b073b5c-20
0.326
MAK-UNK-95198336-7
0.324
MAK-UNK-95198336-4
0.324
MAK-UNK-f983951f-21
0.310
MAK-UNK-704ed37c-15
0.306
SAD-SAT-6b5a89f0-2
0.302
MAK-UNK-95198336-3
0.297
SAD-SAT-1b030f84-9
0.297
MAK-UNK-704ed37c-4
0.296
SAD-SAT-edc8a235-3
0.292
MAK-UNK-704ed37c-2
0.291
SAD-SAT-bc31ec01-2
0.279
MAK-UNK-4b073b5c-16
0.275
MAK-UNK-4b073b5c-22
0.267
MAK-UNK-95198336-9
0.267
SAD-SAT-65574d3f-5
0.265
MAK-UNK-704ed37c-6
0.263
SAD-SAT-bc31ec01-1
0.263
SAD-SAT-d8079f6f-5
0.262
MAK-UNK-95198336-11
0.262
SAD-SAT-d8079f6f-3
0.262
SAD-SAT-edc8a235-10
0.261
ASH-UNK-e28bb067-5
0.261
SAD-SAT-d8079f6f-1
0.261
SAD-SAT-d8079f6f-2
0.260
SAD-SAT-6b5a89f0-4
0.260
SAD-SAT-6b5a89f0-5
0.260
SAD-SAT-d8079f6f-6
0.256
AAR-POS-0daf6b7e-21
0.256
MAK-UNK-704ed37c-17
0.255
MAK-UNK-52a1ef4b-2
0.255
MAK-UNK-704ed37c-11
0.250
MAK-UNK-f983951f-27
0.245
TOB-UNK-c2aba166-1
0.245
MAK-UNK-4b073b5c-15
0.244
SAD-SAT-d8079f6f-4
0.244
AAR-POS-0daf6b7e-17
0.241
LON-WEI-8f408cad-5
0.241
AAR-POS-0daf6b7e-2
0.241
MAK-UNK-704ed37c-16
0.240
MAK-UNK-704ed37c-8
0.237
JOH-UNI-27ac80fd-23
0.237
AAR-POS-0daf6b7e-12
0.237
JOH-UNI-27ac80fd-4
0.237
MAK-UNK-6c8f5f75-4
0.235
MAK-UNK-6ca90168-16
0.234
MAK-UNK-987948f6-5
0.234
MAK-UNK-6c8f5f75-6
0.234
MAK-UNK-4b073b5c-14
0.234
SAD-SAT-3a925b8b-5
0.232
SAD-SAT-5b1897b2-2
0.230
NEH-REV-107bcf72-5
0.230
MAK-UNK-6ca90168-17
0.229
MAK-UNK-6ca90168-18
0.229
MAK-UNK-704ed37c-12
0.229
MAK-UNK-750cfbcc-1
0.229
MAK-UNK-6c8f5f75-1
0.229
AAR-POS-0daf6b7e-16
0.228
SAD-SAT-1b030f84-5
0.228
MAK-UNK-704ed37c-5
0.228
MAK-UNK-704ed37c-3
0.228
AAA-OOO-6ef70637-1
0.227
JOH-UNI-27ac80fd-29
0.227
VIK-SYN-bf9c9ac8-6
0.226
JOH-UNI-27ac80fd-30
0.226
VIK-SYN-9a3d118a-2
0.226
ASH-UNK-e28bb067-9
0.224
SAD-SAT-edc8a235-8
0.224
ASH-UNK-e28bb067-8
0.224
MAK-UNK-704ed37c-10
0.224
SAD-SAT-5b1897b2-9
0.224
MAK-UNK-987948f6-4
0.224
SAD-SAT-1b030f84-8
0.224
AAR-POS-0daf6b7e-13
0.224
LON-WEI-8f408cad-7
0.224
MAK-UNK-212f693e-8
0.224
JOH-UNI-e19b918c-10
0.222
JOH-UNI-27ac80fd-38
0.221
MAK-UNK-7c9d1431-28
0.220
MAK-UNK-e4a48a85-14
0.220
SAD-SAT-65574d3f-7
0.220
MAK-UNK-3f402c2b-29
0.220
JOH-UNI-27ac80fd-33
0.219
MAK-UNK-7c9d1431-24
0.218
DRR-IMP-38dce17f-3
0.218
VIK-SYN-bf9c9ac8-7
0.218
VIK-SYN-9a3d118a-4
0.218
MAR-TRE-6a44bbf2-87
0.218
MAR-LAB-ca4662a6-2
0.217
MAK-UNK-704ed37c-13
0.216
SAD-SAT-edc8a235-7
0.216