Molecular Properties | |
SMILES: | Cc1sc2nc(CSCC(=O)Nc3cccnc3)nc(O)c2c1C |
MW: | 360.07 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 87.74 |
cLogP: | 2.87 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6177799298 |
MolPort: | MolPort-008-353-209 |
MAR-TRE-f6f5f473-71
0.575
MAR-TRE-04c86cea-71
0.529
MAR-TRE-04c86cea-96
0.432
ALE-HEI-f28a35b5-5
0.407
JOH-IMS-62aeb97d-5
0.384
MAR-TRE-67513f76-81
0.375
DAR-DIA-842b4336-12
0.373
MAK-UNK-ca11b4f7-1
0.365
MED-UNK-e6e8ef8a-4
0.360
MAR-TRE-9c797165-52
0.360
MAK-UNK-a7b37c5e-4
0.358
MAR-TRE-c8530538-80
0.356
MAR-TRE-67513f76-22
0.354
MAK-UNK-a7b37c5e-5
0.354
MAK-UNK-c749d764-23
0.352
SAN-PRS-52b81272-2
0.350
MAK-UNK-c749d764-27
0.349
CHR-SOS-f7373dd1-6
0.348
MAR-TRE-4b834d9a-96
0.347
MAR-TRE-9c797165-14
0.347
ALE-HEI-f28a35b5-4
0.345
MAK-UNK-c749d764-17
0.345
MAR-TRE-67513f76-69
0.343
DAR-DIA-842b4336-11
0.341
MED-UNK-e6e8ef8a-5
0.341
DAR-DIA-842b4336-13
0.341
MAR-TRE-2fd8122f-78
0.341
MAR-TRE-67513f76-13
0.341
CHR-SOS-f7373dd1-3
0.340
MAR-TRE-7f7bb9f0-53
0.340
ALE-HEI-f28a35b5-14
0.338
DAR-DIA-842b4336-3
0.337
MED-UNK-e6e8ef8a-3
0.337
DAR-DIA-842b4336-16
0.337
MAR-TRE-9c797165-94
0.337
MAR-TRE-67513f76-92
0.337
KEI-TRE-d5e2018a-51
0.337
DAR-DIA-842b4336-10
0.333
MAR-TRE-7f7bb9f0-90
0.333
KEI-TRE-d5e2018a-62
0.333
MAR-TRE-2fd8122f-26
0.333
MAR-TRE-7f7bb9f0-49
0.333
MAR-TRE-2fd8122f-23
0.330
TAM-UNI-c140e31a-10
0.330
MAR-TRE-2fd8122f-2
0.330
DAR-DIA-842b4336-14
0.330
MAR-TRE-67513f76-93
0.330
SAD-SAT-24589cd1-4
0.329
MAR-TRE-2fd8122f-99
0.326
MAR-TRE-74c6519b-55
0.326
MED-UNK-e6e8ef8a-6
0.326
MAR-TRE-2fd8122f-53
0.324
MAR-TRE-b77b7921-39
0.324
MAR-TRE-9c797165-21
0.323
MAR-TRE-67513f76-55
0.323
MAR-TRE-3e4e6814-28
0.323
MAR-TRE-67513f76-73
0.322
MAR-TRE-7f7bb9f0-46
0.322
AUS-ARG-7cfdce8f-11
0.321
KEI-TRE-d5e2018a-66
0.321
MAR-TRE-74c6519b-35
0.320
MAR-TRE-2fd8122f-17
0.320
MAR-TRE-04c86cea-41
0.320
CHR-SOS-59746812-3
0.320
MAR-TRE-9c797165-57
0.320
KEI-TRE-d5e2018a-68
0.320
MAR-TRE-3e4e6814-50
0.319
MAR-TRE-7f7bb9f0-74
0.318
MAR-TRE-2fd8122f-46
0.317
CHR-SOS-59746812-4
0.316
MAR-TRE-2fd8122f-47
0.316
MAR-TRE-2fd8122f-49
0.316
MAR-TRE-3e4e6814-61
0.316
MAR-TRE-04c86cea-93
0.316
KEI-TRE-d5e2018a-45
0.316
MAK-UNK-ca11b4f7-3
0.316
MAK-UNK-c749d764-14
0.315
MAR-TRE-7f7bb9f0-56
0.315
DAR-DIA-23aa0b97-16
0.314
FRA-FAC-9ed5a63a-1
0.314
MAK-UNK-a7b37c5e-1
0.314
ALE-HEI-f28a35b5-9
0.314
AAR-POS-d2a4d1df-13
0.314
MAR-TRE-7f7bb9f0-82
0.313
KEI-TRE-d5e2018a-74
0.312
MAR-TRE-9c797165-60
0.312
MAR-TRE-d0525fbf-64
0.312
NAU-LAT-64f4b287-10
0.312
MAR-TRE-2fd8122f-60
0.312
MAR-TRE-74c6519b-91
0.312
MAR-TRE-d0525fbf-91
0.311
MAR-TRE-04c86cea-51
0.311
MAR-TRE-7f7bb9f0-76
0.311
EDG-MED-0da5ad92-2
0.310
DAR-DIA-842b4336-5
0.310
DAR-DIA-842b4336-7
0.310
MAR-TRE-4b834d9a-59
0.310
BEN-VAN-ed886787-15
0.309
MAR-TRE-3e4e6814-62
0.309
MAR-TRE-2fd8122f-37
0.309