Molecular Properties | |
SMILES: | Cc1sc2nc(SCc3cccc(C#N)c3)n(C)c(=O)c2c1C |
MW: | 341.07 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 58.68 |
cLogP: | 3.78 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9830407232 |
MolPort: | MolPort-002-091-890 |
Filter82_pyridinium
MAR-TRE-14ce9fd6-10
0.635
MAR-TRE-14ce9fd6-25
0.530
MAR-TRE-fd17a9b8-88
0.400
MAR-TRE-1c920f6f-31
0.388
MAR-TRE-14ce9fd6-31
0.364
MAR-TRE-0fda4e82-35
0.333
MAR-TRE-14ce9fd6-28
0.333
MAR-TRE-1c920f6f-34
0.319
MAR-TRE-1c920f6f-40
0.310
MAR-TRE-1c920f6f-33
0.302
PAT-UNK-b2d83456-1
0.302
MAR-TRE-1c920f6f-35
0.295
TRY-UNI-714a760b-19
0.292
MAT-POS-ee51dedd-1
0.289
RAL-THA-2d450e86-12
0.286
TRY-UNI-714a760b-20
0.284
ALP-POS-95b75b4d-12
0.280
NAU-LAT-b0463c38-8
0.276
SAD-SAT-24589cd1-3
0.273
SAD-SAT-24589cd1-1
0.273
ANN-UNI-26382800-5
0.269
MAK-UNK-10dfa458-40
0.266
MAR-TRE-14ce9fd6-58
0.265
SEA-TRI-f93fcab4-1
0.264
LOR-NOR-30067bb9-11
0.263
SAD-SAT-24589cd1-5
0.260
SEA-TRI-ec70a9dd-1
0.260
MAK-UNK-10dfa458-41
0.258
ALP-POS-95b75b4d-13
0.257
MAK-UNK-748f8b7a-6
0.257
WAR-XCH-bdd24732-19
0.255
SAD-SAT-24589cd1-8
0.253
MAR-TRE-f5c2d31c-73
0.252
MIC-UNK-2744a8e2-1
0.252
SAD-SAT-24589cd1-9
0.252
MAK-UNK-748f8b7a-9
0.252
MIH-UNI-6b9ca91a-5
0.250
TRY-UNI-9f475305-6
0.250
MAK-UNK-10dfa458-42
0.248
SAD-SAT-24589cd1-6
0.245
SAD-SAT-c989feaa-2
0.245
KRI-MAR-d2e3ef86-9
0.245
SAD-SAT-24589cd1-10
0.243
MAR-TRE-f6f5f473-85
0.243
MAR-TRE-0fda4e82-10
0.243
ERI-UCB-a0b0dbcb-14
0.239
GAB-REV-df64cf17-14
0.239
AAR-UNI-c25c2f1e-74
0.238
ALP-POS-02c6a514-33
0.238
AAR-UNI-c25c2f1e-56
0.238
MIC-UNK-e8a42ca9-1
0.237
MAR-TRE-1c920f6f-22
0.237
MAR-TRE-f6f5f473-71
0.236
MAR-TRE-6c5ef77a-30
0.236
MAR-TRE-fd17a9b8-14
0.235
MAR-TRE-f5c2d31c-16
0.235
KRI-MAR-d2e3ef86-1
0.235
DAR-DIA-bd041b9b-29
0.234
NAU-LAT-b0463c38-9
0.234
KRI-MAR-d2e3ef86-11
0.233
MAR-TRE-c8530538-58
0.232
MIC-UNK-e8a42ca9-2
0.232
DAR-DIA-23aa0b97-4
0.232
MAR-TRE-f6f5f473-41
0.231
TRY-UNI-1fd04853-6
0.231
MAR-TRE-14ce9fd6-55
0.230
MAR-TRE-0fda4e82-67
0.229
MAR-TRE-0fda4e82-17
0.228
MAR-TRE-14ce9fd6-90
0.226
MAR-TRE-0fda4e82-46
0.224
MAR-TRE-a3327163-37
0.224
TRY-UNI-714a760b-21
0.223
MIC-UNK-df342a3f-2
0.223
MAR-TRE-14ce9fd6-38
0.222
MAK-UNK-ec98eaf6-40
0.222
DAR-DIA-bd041b9b-28
0.221
DAR-DIA-23aa0b97-19
0.221
MAR-TRE-14ce9fd6-50
0.221
MAR-TRE-14ce9fd6-93
0.220
MAR-TRE-6c5ef77a-93
0.220
MAR-TRE-14ce9fd6-13
0.220
GAB-FAC-0d239413-1
0.220
MAR-TRE-1c920f6f-96
0.219
DAR-DIA-bd041b9b-27
0.218
RAJ-NOV-842d5654-2
0.218
TRY-UNI-714a760b-23
0.218
MAR-TRE-14ce9fd6-65
0.217
MAR-TRE-a3327163-36
0.217
MAR-TRE-a3327163-76
0.217
SAD-SAT-f25ee457-9
0.216
MIC-UNK-df342a3f-1
0.216
MAR-TRE-1c920f6f-81
0.216
TRY-UNI-714a760b-22
0.216
MAK-UNK-ec98eaf6-53
0.216
DAR-DIA-23aa0b97-18
0.215
MAT-POS-c20a539d-5
0.215
PET-UNK-6314f867-2
0.215
MAR-TRE-f6f5f473-42
0.215
MAR-TRE-c8530538-80
0.214
ALP-POS-02c6a514-39
0.213