Molecular Properties | |
SMILES: | O=C(Cc1csc(NC(=O)c2ccsc2)n1)Nc1cccnc1 |
MW: | 344.04 |
Fraction sp3: | 0.07 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 83.98 |
cLogP: | 3.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5943623992 |
MolPort: | MolPort-009-689-809 |
aminothiazole
MAR-TRE-2fd8122f-66
0.705
MAR-TRE-2fd8122f-23
0.646
MAR-TRE-2fd8122f-26
0.642
MAR-TRE-2fd8122f-53
0.630
DAR-DIA-842b4336-10
0.514
MAR-TRE-2fd8122f-99
0.506
MAR-TRE-67513f76-22
0.460
MAR-TRE-67513f76-69
0.444
MAT-POS-ea426761-12
0.419
MAR-TRE-7f7bb9f0-63
0.414
MAR-TRE-9c797165-33
0.409
ALE-HEI-f28a35b5-5
0.405
SAN-PRS-52b81272-2
0.400
JOH-IMS-62aeb97d-5
0.400
SAD-SAT-24589cd1-4
0.395
MAK-UNK-a7b37c5e-1
0.392
MAR-TRE-67513f76-81
0.391
MAK-UNK-a7b37c5e-4
0.390
DAR-DIA-842b4336-12
0.388
DAR-DIA-842b4336-13
0.388
MAK-UNK-a7b37c5e-5
0.385
MAR-TRE-67513f76-13
0.384
DAR-DIA-842b4336-16
0.383
DAR-DIA-842b4336-1
0.382
MAK-UNK-ca11b4f7-1
0.380
MAK-UNK-c749d764-27
0.378
DAR-DIA-23aa0b97-16
0.375
MAK-UNK-c749d764-17
0.375
DAR-DIA-842b4336-14
0.373
EDG-MED-0da5ad92-2
0.370
DAR-DIA-842b4336-11
0.370
MAK-UNK-a7b37c5e-2
0.366
DAR-DIA-842b4336-15
0.365
MAR-TRE-2fd8122f-37
0.364
MAR-TRE-c317dd82-59
0.363
CHA-MCP-85291e1d-2
0.360
MAR-TRE-3e4e6814-79
0.358
CHA-MCP-85291e1d-5
0.356
MAK-UNK-c749d764-14
0.356
MAR-TRE-74c6519b-19
0.356
ALE-HEI-f28a35b5-14
0.351
MAR-TRE-7f7bb9f0-46
0.349
DAR-DIA-23aa0b97-17
0.349
KAL-WAB-eb347ebe-1
0.349
ANN-UNI-26382800-5
0.349
MAR-TRE-9c797165-14
0.344
MAR-TRE-2fd8122f-32
0.344
FRA-FAC-9ed5a63a-1
0.341
ALE-HEI-f28a35b5-9
0.341
AAR-POS-d2a4d1df-13
0.341
MAK-UNK-c749d764-13
0.341
MAR-TRE-f6f5f473-95
0.340
MED-UNK-e6e8ef8a-5
0.337
MAK-UNK-d1e89583-3
0.337
MAR-TRE-74c6519b-55
0.337
MAR-TRE-b77b7921-39
0.333
AUS-ARG-7cfdce8f-11
0.333
MAK-UNK-c749d764-23
0.333
MAR-TRE-9c797165-94
0.333
CHA-MCP-85291e1d-1
0.330
MAR-TRE-7f7bb9f0-49
0.329
MAK-UNK-d1e89583-7
0.329
AAR-POS-d2a4d1df-11
0.329
MAR-TRE-2fd8122f-46
0.327
MAR-TRE-9c797165-52
0.326
MED-UNK-e6e8ef8a-4
0.326
MAK-UNK-d1e89583-5
0.326
MAR-TRE-67513f76-93
0.326
ALE-HEI-f28a35b5-4
0.325
MAR-TRE-2fd8122f-58
0.322
MAR-TRE-2fd8122f-78
0.322
CHR-SOS-70e4c98a-6
0.322
MED-UNK-e6e8ef8a-6
0.321
MAK-UNK-d1e89583-1
0.321
MAR-TRE-7f7bb9f0-76
0.320
MAR-TRE-67513f76-55
0.319
MAR-TRE-2fd8122f-34
0.319
MAR-TRE-3e4e6814-62
0.319
MAR-TRE-4b834d9a-31
0.319
MAR-TRE-67513f76-73
0.318
MAK-UNK-d1e89583-9
0.318
CHR-SOS-f7373dd1-4
0.318
FRA-FAC-9ed5a63a-2
0.318
MED-UNK-e6e8ef8a-2
0.318
MED-UNK-e6e8ef8a-3
0.318
MAR-TRE-04c86cea-41
0.316
MAR-TRE-2fd8122f-94
0.316
KEI-TRE-d5e2018a-26
0.316
MAR-TRE-4b834d9a-96
0.316
MAR-TRE-3e4e6814-50
0.315
MAR-TRE-04c86cea-97
0.315
CHR-SOS-70e4c98a-8
0.315
MAR-TRE-7f7bb9f0-90
0.315
CHR-SOS-f7373dd1-5
0.314
MAR-TRE-7f7bb9f0-74
0.314
CHR-SOS-7098f804-12
0.313
SAN-PRS-52b81272-3
0.312
MAR-TRE-2fd8122f-39
0.312
MAR-TRE-67513f76-87
0.311
CHR-SOS-f7373dd1-1
0.311