Molecular Properties | |
SMILES: | N#Cc1ccc(CSCC(=O)O)cc1 |
MW: | 207.04 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 61.09 |
cLogP: | 1.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9050458410 |
MolPort: | MolPort-001-909-400 |
MAR-TRE-1c920f6f-97
0.483
MAK-UNK-f983951f-23
0.392
MAR-TRE-14ce9fd6-55
0.382
NEL-UNI-1464a899-3
0.379
MAR-TRE-14ce9fd6-29
0.377
MAK-UNK-6ca90168-14
0.368
DRR-IMP-38dce17f-7
0.368
MAR-TRE-14ce9fd6-52
0.357
SWA-SYN-6423ea73-7
0.333
SWA-SYN-d2e6fa14-7
0.333
MAR-TRE-14ce9fd6-34
0.323
AAR-POS-d2a4d1df-21
0.323
NEL-UNI-1464a899-8
0.323
MAR-TRE-14ce9fd6-13
0.319
MAR-TRE-14ce9fd6-44
0.317
MAR-TRE-14ce9fd6-8
0.314
MAR-TRE-2fd8122f-69
0.313
MAR-TRE-14ce9fd6-84
0.312
MAR-TRE-14ce9fd6-73
0.310
MAR-TRE-14ce9fd6-21
0.309
MAR-TRE-14ce9fd6-33
0.304
MAR-TRE-14ce9fd6-35
0.304
MAR-TRE-14ce9fd6-47
0.304
DRR-IMP-dff87f5e-9
0.302
MAK-UNK-987948f6-3
0.300
MAR-TRE-14ce9fd6-41
0.300
MAR-TRE-1c920f6f-39
0.299
MAR-TRE-1c920f6f-27
0.299
MAR-TRE-1c920f6f-43
0.294
MAR-TRE-14ce9fd6-65
0.286
MAR-TRE-a3327163-24
0.286
MAR-TRE-14ce9fd6-38
0.286
MAR-TRE-0fda4e82-14
0.284
MAR-TRE-0fda4e82-77
0.284
RAL-THA-2d450e86-5
0.282
MAR-TRE-14ce9fd6-9
0.282
MAR-TRE-0fda4e82-56
0.279
NIC-BIO-a68395b7-2
0.271
MAR-TRE-14ce9fd6-50
0.269
MAR-TRE-14ce9fd6-72
0.269
MAR-TRE-0fda4e82-11
0.269
MAR-TRE-1c920f6f-55
0.267
MAR-TRE-0fda4e82-81
0.265
MAR-TRE-1c920f6f-75
0.265
LON-WEI-5e7d1b3e-32
0.262
LON-WEI-4d77710c-32
0.262
MAR-TRE-a3327163-42
0.261
MAR-TRE-a3327163-53
0.261
MAR-TRE-a3327163-37
0.259
TRY-UNI-1fd04853-8
0.257
JOH-UNK-14e6adc5-2
0.254
ANN-UNI-26382800-3
0.254
MAR-TRE-6c5ef77a-48
0.250
MAR-TRE-a3327163-32
0.250
MAR-TRE-a3327163-43
0.250
MAR-TRE-0fda4e82-21
0.250
MAR-TRE-1c920f6f-65
0.250
IND-SYN-2c708b29-4
0.250
SAD-SAT-f2e2579e-10
0.247
BEN-DND-61647d40-8
0.246
MAR-TRE-14ce9fd6-59
0.246
MAR-TRE-14ce9fd6-48
0.243
RIT-AID-1c9a4e61-1
0.243
JAN-GHE-fd8d85a5-7
0.243
PET-SGC-0f1d26ed-2
0.243
MAK-UNK-10dfa458-40
0.239
MAK-UNK-be3f299e-6
0.239
MAR-TRE-14ce9fd6-61
0.233
PET-SGC-708ec5d8-1
0.233
MAT-POS-ee51dedd-1
0.232
MAR-TRE-14ce9fd6-19
0.232
FAB-UNK-7ad5ab26-2
0.230
MAK-UNK-10dfa458-41
0.230
DAR-DIA-23aa0b97-6
0.229
MAR-TRE-6c5ef77a-31
0.227
FAB-UNK-2931f40a-1
0.227
PAT-UNK-b2d83456-1
0.227
MAR-TRE-e86a56b5-80
0.226
JOH-MEM-4bb7e4cc-1
0.225
MAT-GIT-deadff56-1
0.225
DUN-NEW-f8ce3686-12
0.225
MAR-TRE-1c920f6f-91
0.225
FAB-UNK-7ad5ab26-3
0.225
FAB-UNK-03d90bbc-1
0.222
FAB-UNK-7ad5ab26-1
0.222
VIK-SYN-9a3d118a-8
0.222
MAR-TRE-0fda4e82-62
0.222
FAB-NA_-a03f4448-1
0.222
TAT-ENA-80bfd3e5-2
0.221
DAR-DIA-fb20be43-3
0.221
MAR-TRE-14ce9fd6-4
0.221
BEN-DND-61647d40-7
0.219
KIM-UNI-7d12df64-2
0.219
MAR-TRE-6c5ef77a-18
0.217
PAT-GYR-359dbb24-2
0.217
PAU-WEI-b9b69149-4
0.217
MAT-POS-590ac91e-59
0.216
MAT-POS-590ac91e-60
0.216
MAR-TRE-ebcc4ad6-35
0.216
MAR-TRE-0fda4e82-19
0.215