Molecular Properties | |
SMILES: | Cc1occc1C(=O)Nc1nc(CC(=O)Nc2cccnc2)cs1 |
MW: | 342.08 |
Fraction sp3: | 0.12 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 97.12 |
cLogP: | 2.87 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z442942686 |
aminothiazole
MAR-TRE-2fd8122f-53
0.651
MAR-TRE-2fd8122f-23
0.646
MAR-TRE-4b834d9a-59
0.642
MAR-TRE-2fd8122f-66
0.605
MAR-TRE-2fd8122f-99
0.476
MAR-TRE-67513f76-22
0.467
MAR-TRE-67513f76-69
0.452
DAR-DIA-842b4336-10
0.443
MAR-TRE-7f7bb9f0-63
0.422
DAR-DIA-842b4336-12
0.415
ALE-HEI-f28a35b5-5
0.415
MAR-TRE-9c797165-33
0.402
DAR-DIA-842b4336-16
0.393
SAN-PRS-52b81272-2
0.392
JOH-IMS-62aeb97d-5
0.392
MAK-UNK-c749d764-27
0.388
SAD-SAT-24589cd1-4
0.388
MAK-UNK-c749d764-17
0.386
MAK-UNK-a7b37c5e-1
0.386
DAR-DIA-23aa0b97-16
0.386
MAK-UNK-a7b37c5e-4
0.383
DAR-DIA-842b4336-13
0.381
DAR-DIA-842b4336-11
0.381
MAK-UNK-a7b37c5e-5
0.378
MAR-TRE-67513f76-13
0.378
MAK-UNK-a7b37c5e-2
0.376
MAR-TRE-7f7bb9f0-49
0.372
MAT-POS-ea426761-12
0.370
DAR-DIA-842b4336-14
0.368
MAR-TRE-3e4e6814-79
0.367
MAR-TRE-67513f76-81
0.365
EDG-MED-0da5ad92-2
0.365
DAR-DIA-23aa0b97-17
0.360
DAR-DIA-842b4336-15
0.360
MAR-TRE-2fd8122f-37
0.359
MAR-TRE-b77b7921-39
0.356
MAK-UNK-ca11b4f7-1
0.355
CHA-MCP-85291e1d-1
0.355
MAR-TRE-9c797165-14
0.354
MAR-TRE-04c86cea-41
0.354
MAR-TRE-67513f76-93
0.352
MAK-UNK-c749d764-14
0.352
CHA-MCP-85291e1d-5
0.352
MAR-TRE-f6f5f473-95
0.351
MAR-TRE-2fd8122f-60
0.348
ANN-UNI-26382800-5
0.344
MAR-TRE-9c797165-94
0.344
MAK-UNK-c749d764-23
0.344
CHA-MCP-85291e1d-2
0.341
ALE-HEI-f28a35b5-4
0.337
MED-UNK-e6e8ef8a-4
0.337
MAK-UNK-c749d764-13
0.337
MAR-TRE-67513f76-87
0.337
MAR-TRE-2fd8122f-46
0.337
MAR-TRE-f6f5f473-85
0.333
DAR-DIA-842b4336-7
0.333
MAR-TRE-7f7bb9f0-76
0.330
MAR-TRE-67513f76-55
0.330
MAR-TRE-7f7bb9f0-46
0.330
KAL-WAB-eb347ebe-1
0.330
AUS-ARG-7cfdce8f-11
0.329
ALE-HEI-f28a35b5-14
0.329
MAR-TRE-74c6519b-19
0.327
KEI-TRE-d5e2018a-26
0.327
CHR-SOS-59746812-3
0.327
MAR-TRE-2fd8122f-32
0.327
ISA-SCH-8e98219b-4
0.326
CHR-SOS-59746812-4
0.323
MAR-TRE-2fd8122f-2
0.323
ALE-HEI-f28a35b5-9
0.322
AAR-POS-d2a4d1df-13
0.322
FRA-FAC-9ed5a63a-1
0.322
KEI-TRE-d5e2018a-93
0.321
MAD-FNM-74857450-1
0.320
MAR-TRE-7f7bb9f0-82
0.320
MAR-TRE-74c6519b-55
0.319
MAR-TRE-2fd8122f-58
0.319
MAD-FNM-828af174-1
0.319
MAR-TRE-2fd8122f-78
0.319
MED-UNK-e6e8ef8a-6
0.318
MAR-TRE-4b834d9a-79
0.318
MAR-TRE-67513f76-92
0.316
MAR-TRE-74c6519b-68
0.316
MAR-TRE-c317dd82-59
0.316
MAR-TRE-3e4e6814-62
0.316
MAK-UNK-d1e89583-9
0.315
MAR-TRE-67513f76-73
0.315
MED-UNK-e6e8ef8a-3
0.315
KEI-TRE-d5e2018a-67
0.314
MAR-TRE-2fd8122f-94
0.314
MAR-TRE-9c797165-57
0.313
MAR-TRE-4b834d9a-96
0.313
CHR-SOS-f7373dd1-6
0.312
MAR-TRE-9c797165-8
0.312
MAR-TRE-3e4e6814-8
0.312
MAR-TRE-7f7bb9f0-90
0.312
MAR-TRE-f6f5f473-71
0.311
KEI-TRE-d5e2018a-84
0.311
MAK-UNK-d1e89583-7
0.310
MAK-UNK-129dcd6f-4
0.310