Molecular Properties | |
SMILES: | N#Cc1cccc(CSc2nc3ccccc3o2)c1 |
MW: | 266.05 |
Fraction sp3: | 0.07 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 49.82 |
cLogP: | 3.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9912788246 |
MolPort: | MolPort-002-101-802 |
MAR-TRE-14ce9fd6-24
0.549
MAR-TRE-14ce9fd6-25
0.456
MAR-TRE-1c920f6f-34
0.455
MAR-TRE-14ce9fd6-28
0.450
MAR-TRE-1c920f6f-31
0.432
MAR-TRE-14ce9fd6-16
0.364
MAT-POS-e10a589d-1
0.364
MAR-TRE-14ce9fd6-10
0.323
GAB-REV-df64cf17-15
0.322
MAT-POS-ea426761-4
0.319
PAT-UNK-b2d83456-1
0.299
MAR-TRE-14ce9fd6-44
0.291
MIH-UNI-6b9ca91a-5
0.289
MAT-POS-ee51dedd-1
0.284
RAL-THA-2d450e86-12
0.281
MAK-UNK-10dfa458-41
0.279
MAR-TRE-14ce9fd6-13
0.279
ALP-POS-95b75b4d-13
0.278
ANN-UNI-26382800-5
0.277
DRV-DNY-5c7d8ee8-3
0.275
TAT-ENA-80bfd3e5-6
0.275
MAR-TRE-14ce9fd6-84
0.272
LOR-NOR-30067bb9-11
0.271
SAD-SAT-24589cd1-5
0.267
MAR-TRE-14ce9fd6-47
0.267
MAR-TRE-14ce9fd6-34
0.265
ALP-POS-95b75b4d-12
0.261
WAR-XCH-bdd24732-19
0.260
MAK-UNK-10dfa458-40
0.259
SEA-TRI-f93fcab4-1
0.258
NAU-LAT-b0463c38-8
0.258
TRY-UNI-9f475305-6
0.255
SAD-SAT-24589cd1-3
0.253
TRY-UNI-714a760b-20
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MAR-TRE-14ce9fd6-8
0.247
MAR-TRE-14ce9fd6-73
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TRY-UNI-714a760b-19
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SAD-SAT-24589cd1-8
0.244
MAR-TRE-14ce9fd6-58
0.244
MAR-TRE-1c920f6f-43
0.244
MAR-TRE-14ce9fd6-29
0.243
ERI-UCB-a0b0dbcb-14
0.242
SEA-TRI-ec70a9dd-1
0.240
SAD-SAT-24589cd1-1
0.239
MAR-TRE-14ce9fd6-38
0.239
SAD-SAT-24589cd1-6
0.238
NAU-LAT-b0463c38-9
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WAR-XCH-bdd24732-18
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MAR-TRE-14ce9fd6-9
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DAR-DIA-23aa0b97-4
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TRY-UNI-1fd04853-6
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MAR-TRE-1c920f6f-27
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MAR-TRE-0fda4e82-15
0.230
MAR-TRE-14ce9fd6-90
0.229
AAR-UNI-c25c2f1e-56
0.228
ALP-UNI-ed5cdfd2-4
0.227
MAK-UNK-10dfa458-42
0.227
MAK-UNK-748f8b7a-6
0.225
SAD-SAT-c989feaa-2
0.224
DAR-DIA-23aa0b97-19
0.223
SAD-SAT-24589cd1-10
0.223
MAR-TRE-a3327163-13
0.222
MAR-TRE-14ce9fd6-41
0.222
MAR-TRE-14ce9fd6-93
0.222
IND-SYN-6c8299e8-1
0.222
MAR-TRE-0fda4e82-10
0.222
MAR-TRE-14ce9fd6-23
0.222
MAR-TRE-14ce9fd6-95
0.222
MIC-UNK-2744a8e2-1
0.221
SAD-SAT-24589cd1-9
0.221
MAR-TRE-1c920f6f-99
0.221
GAB-REV-4a4e2ff3-16
0.220
MAR-TRE-1c920f6f-77
0.220
MAR-TRE-14ce9fd6-100
0.220
MAR-TRE-14ce9fd6-52
0.218
GAB-REV-4a4e2ff3-18
0.217
MAR-TRE-14ce9fd6-97
0.217
DAR-DIA-23aa0b97-18
0.216
DAV-IMP-59dd6621-2
0.216
MAR-TRE-1c920f6f-14
0.216
WAR-XCH-eb7b662f-1
0.214
ANN-UNI-26382800-4
0.214
DAR-DIA-23aa0b97-5
0.214
JOR-UNI-61e7b1d5-2
0.214
MAR-TRE-1c920f6f-65
0.213
MAK-UNK-748f8b7a-9
0.212
DAR-DIA-23aa0b97-3
0.211
MAR-TRE-1c920f6f-52
0.210
WIL-UNI-d4749f31-41
0.210
MAR-TRE-0fda4e82-7
0.209
MAR-TRE-1c920f6f-61
0.208
WIL-UNI-d4749f31-25
0.208
JOR-UNI-61e7b1d5-16
0.208
MED-COV-4280ac29-36
0.207
DAR-DIA-23aa0b97-8
0.207
RAJ-NOV-842d5654-2
0.207
MAR-TRE-14ce9fd6-57
0.205
JOR-UNI-61e7b1d5-9
0.204
MAR-TRE-14ce9fd6-55
0.203
DRV-DNY-5c7d8ee8-2
0.202