Molecular Properties | |
SMILES: | Cc1cc2c(=O)[nH]c(CSCC(=O)Nc3cccnc3)nc2s1 |
MW: | 346.06 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 87.74 |
cLogP: | 2.56 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9874069956 |
MolPort: | MolPort-008-336-683 |
MAR-TRE-fd17a9b8-80
0.667
MAR-TRE-f6f5f473-71
0.616
MAR-TRE-f6f5f473-85
0.432
MAR-TRE-04c86cea-71
0.419
MAR-TRE-2fd8122f-80
0.406
DAR-DIA-842b4336-12
0.398
MAR-TRE-2fd8122f-93
0.388
JOH-IMS-62aeb97d-5
0.373
MAR-TRE-67513f76-81
0.365
DAR-DIA-842b4336-13
0.365
ALE-HEI-f28a35b5-5
0.365
MAR-TRE-3e4e6814-50
0.356
MAK-UNK-ca11b4f7-1
0.355
MAR-TRE-f6f5f473-46
0.351
MAR-TRE-c8530538-80
0.350
MAR-TRE-3e4e6814-8
0.349
MAR-TRE-9c797165-12
0.347
MAR-TRE-2fd8122f-68
0.347
MAR-TRE-7f7bb9f0-53
0.347
AUS-ARG-7cfdce8f-11
0.345
DAR-DIA-842b4336-3
0.345
DAR-DIA-842b4336-16
0.345
MAR-TRE-04c86cea-81
0.344
MAR-TRE-3e4e6814-67
0.344
MAR-TRE-67513f76-55
0.344
MAR-TRE-67513f76-97
0.343
MAR-TRE-7f7bb9f0-90
0.341
MAR-TRE-74c6519b-19
0.339
SAD-SAT-24589cd1-4
0.337
MED-UNK-e6e8ef8a-4
0.337
DAR-DIA-842b4336-14
0.337
MAR-TRE-9c797165-52
0.337
MAR-TRE-67513f76-22
0.333
DAR-DIA-842b4336-11
0.333
MAR-TRE-3e4e6814-59
0.333
MAR-TRE-67513f76-13
0.333
MAR-TRE-9c797165-87
0.333
KEI-TRE-d5e2018a-51
0.330
MAR-TRE-b77b7921-39
0.330
MAR-TRE-04c86cea-51
0.330
MAR-TRE-9c797165-21
0.330
MAK-UNK-c749d764-23
0.330
MAR-TRE-9c797165-94
0.330
MAR-TRE-3e4e6814-62
0.330
MED-UNK-e6e8ef8a-3
0.330
MAK-UNK-a7b37c5e-5
0.329
ALE-HEI-f28a35b5-14
0.329
KEI-TRE-d5e2018a-62
0.327
MAR-TRE-9c797165-22
0.327
KEI-TRE-d5e2018a-67
0.327
KEI-TRE-d5e2018a-26
0.327
MAR-TRE-b77b7921-77
0.327
MAR-TRE-04c86cea-41
0.327
KEI-TRE-d5e2018a-68
0.327
KEI-TRE-d5e2018a-92
0.327
MAR-TRE-4b834d9a-96
0.327
MAR-TRE-9c797165-14
0.327
CHR-SOS-f7373dd1-6
0.326
MAR-TRE-b77b7921-74
0.326
MAK-UNK-c749d764-27
0.326
MAR-TRE-7f7bb9f0-49
0.326
DAR-DIA-842b4336-10
0.326
SAN-PRS-52b81272-2
0.325
MAR-TRE-9c797165-95
0.324
MAR-TRE-67513f76-69
0.324
MAR-TRE-2fd8122f-39
0.323
MAR-TRE-2fd8122f-47
0.323
MAR-TRE-2fd8122f-49
0.323
TAM-UNI-c140e31a-10
0.323
MAR-TRE-67513f76-93
0.322
MAR-TRE-7f7bb9f0-56
0.322
DAR-DIA-23aa0b97-16
0.322
MAK-UNK-c749d764-17
0.322
MAR-TRE-b77b7921-17
0.321
MAR-TRE-74c6519b-56
0.320
KEI-TRE-d5e2018a-88
0.320
MAR-TRE-3e4e6814-66
0.320
MAR-TRE-3e4e6814-100
0.320
CHR-SOS-f7373dd1-3
0.320
KEI-TRE-d5e2018a-89
0.320
KEI-TRE-d5e2018a-74
0.320
MAR-TRE-9c797165-60
0.320
MAR-TRE-d0525fbf-64
0.320
MAR-TRE-7f7bb9f0-68
0.320
MAR-TRE-2fd8122f-99
0.319
EDG-MED-0da5ad92-2
0.318
MED-UNK-e6e8ef8a-6
0.318
MED-UNK-e6e8ef8a-5
0.318
MAR-TRE-2fd8122f-100
0.318
MAK-UNK-a7b37c5e-4
0.318
MAR-TRE-7f7bb9f0-76
0.317
MAR-TRE-2fd8122f-45
0.316
MAR-TRE-74c6519b-68
0.316
MAR-TRE-67513f76-92
0.316
MAR-TRE-2fd8122f-37
0.316
MAR-TRE-4b834d9a-31
0.316
MAR-TRE-b77b7921-91
0.316
KEI-TRE-d5e2018a-66
0.315
MAR-TRE-04c86cea-7
0.315
DAR-DIA-23aa0b97-17
0.315