Molecular Properties | |
SMILES: | Cc1nn(-c2nc(CC(=O)Nc3cccnc3)cs2)c(C)c1Cl |
MW: | 347.06 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 72.7 |
cLogP: | 3.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2122158490 |
MolPort: | MolPort-007-710-489 |
MAR-TRE-67513f76-22
0.720
MAR-TRE-2fd8122f-99
0.512
MAR-TRE-2fd8122f-26
0.452
MAR-TRE-4b834d9a-59
0.444
MAR-TRE-2fd8122f-23
0.435
DAR-DIA-842b4336-12
0.430
DAR-DIA-842b4336-13
0.430
ALE-HEI-f28a35b5-5
0.430
MAR-TRE-2fd8122f-53
0.426
MAR-TRE-2fd8122f-66
0.421
MAK-UNK-a7b37c5e-4
0.416
EDG-MED-0da5ad92-2
0.412
DAR-DIA-842b4336-10
0.405
MAK-UNK-c749d764-27
0.402
MAK-UNK-a7b37c5e-1
0.400
DAR-DIA-23aa0b97-16
0.400
MAR-TRE-9c797165-14
0.396
DAR-DIA-842b4336-11
0.395
MAR-TRE-67513f76-13
0.391
DAR-DIA-842b4336-16
0.390
SAN-PRS-52b81272-2
0.390
MAK-UNK-ca11b4f7-1
0.389
JOH-IMS-62aeb97d-5
0.389
SAD-SAT-24589cd1-4
0.385
MAK-UNK-c749d764-17
0.383
DAR-DIA-842b4336-14
0.381
MAR-TRE-67513f76-81
0.380
MAR-TRE-3e4e6814-79
0.379
MAK-UNK-a7b37c5e-5
0.375
KAL-WAB-eb347ebe-1
0.372
MAR-TRE-9c797165-94
0.371
MAR-TRE-7f7bb9f0-49
0.369
KEI-TRE-d5e2018a-26
0.365
MAR-TRE-2fd8122f-46
0.361
MAK-UNK-a7b37c5e-2
0.357
MAR-TRE-7f7bb9f0-53
0.357
MAR-TRE-67513f76-73
0.356
ANN-UNI-26382800-5
0.356
MAR-TRE-2fd8122f-37
0.356
MAK-UNK-c749d764-23
0.356
MAR-TRE-7f7bb9f0-76
0.354
MAR-TRE-b77b7921-39
0.354
CHA-MCP-85291e1d-1
0.352
MAR-TRE-4b834d9a-96
0.351
MAR-TRE-67513f76-35
0.351
ALE-HEI-f28a35b5-9
0.349
AAR-POS-d2a4d1df-13
0.349
FRA-FAC-9ed5a63a-1
0.349
MAR-TRE-67513f76-93
0.349
MAK-UNK-c749d764-14
0.348
KEI-TRE-d5e2018a-45
0.348
MAK-UNK-d1e89583-3
0.345
MAR-TRE-d0525fbf-64
0.344
MAR-TRE-f6f5f473-85
0.343
ALE-HEI-f28a35b5-14
0.342
MED-UNK-e6e8ef8a-3
0.341
DAR-DIA-842b4336-15
0.341
DAR-DIA-23aa0b97-17
0.341
MAR-TRE-67513f76-55
0.340
MAR-TRE-67513f76-92
0.340
AAR-POS-d2a4d1df-11
0.338
MAK-UNK-d1e89583-7
0.337
MAR-TRE-7f7bb9f0-74
0.337
CHA-MCP-85291e1d-2
0.337
CHR-SOS-f7373dd1-6
0.337
CHR-SOS-59746812-3
0.337
MAR-TRE-2fd8122f-94
0.337
MAR-TRE-9c797165-22
0.337
MAR-TRE-74c6519b-19
0.336
MED-UNK-e6e8ef8a-4
0.333
MAK-UNK-c749d764-13
0.333
CHR-SOS-59746812-4
0.333
ALE-HEI-f28a35b5-4
0.333
MAR-TRE-f6f5f473-71
0.333
MAR-TRE-f6f5f473-95
0.333
CHA-MCP-85291e1d-5
0.333
MAK-UNK-d1e89583-5
0.333
MAR-TRE-9c797165-52
0.333
MAR-TRE-3e4e6814-65
0.333
MAR-TRE-2fd8122f-93
0.330
CHR-SOS-f7373dd1-3
0.330
MAR-TRE-9c797165-60
0.330
MAR-TRE-3e4e6814-49
0.330
MAR-TRE-74c6519b-55
0.330
MAR-TRE-2fd8122f-78
0.330
MED-UNK-e6e8ef8a-6
0.329
DAR-DIA-23aa0b97-15
0.329
MAR-TRE-3e4e6814-62
0.326
MAR-TRE-3e4e6814-67
0.326
MAK-UNK-d1e89583-9
0.326
WAR-XCH-eb7b662f-5
0.326
MED-UNK-e6e8ef8a-2
0.326
FRA-FAC-9ed5a63a-2
0.326
AUS-ARG-7cfdce8f-11
0.325
DAR-DIA-842b4336-4
0.325
DAR-DIA-842b4336-3
0.325
MAR-TRE-04c86cea-96
0.324
KEI-TRE-d5e2018a-67
0.323
MAR-TRE-04c86cea-41
0.323
MAR-TRE-9c797165-57
0.323