Molecular Properties | |
SMILES: | O=C(Cc1csc(NC(=O)c2cccc(O)c2)n1)Nc1cccnc1 |
MW: | 354.08 |
Fraction sp3: | 0.06 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 104.21 |
cLogP: | 2.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1592701998 |
Mcule: | MCULE-5547833686 |
aminothiazole
MAR-TRE-4b834d9a-59
0.705
MAR-TRE-2fd8122f-23
0.607
MAR-TRE-2fd8122f-26
0.605
MAR-TRE-2fd8122f-53
0.593
MAR-TRE-2fd8122f-99
0.476
MAR-TRE-67513f76-22
0.451
DAR-DIA-842b4336-10
0.443
MAR-TRE-67513f76-69
0.421
MAT-POS-ea426761-12
0.412
MAR-TRE-7f7bb9f0-63
0.391
MAR-TRE-9c797165-33
0.387
MAK-UNK-c749d764-17
0.386
MAK-UNK-a7b37c5e-4
0.383
ALE-HEI-f28a35b5-5
0.381
EDG-MED-0da5ad92-2
0.381
MAK-UNK-a7b37c5e-5
0.378
SAN-PRS-52b81272-2
0.375
CHR-SOS-7098f804-12
0.373
JOH-IMS-62aeb97d-5
0.373
MAK-UNK-c749d764-27
0.372
SAD-SAT-24589cd1-4
0.370
DAR-DIA-23aa0b97-16
0.369
MAK-UNK-a7b37c5e-1
0.369
DAR-DIA-842b4336-14
0.368
MAR-TRE-3e4e6814-79
0.367
MAK-UNK-c749d764-13
0.367
MAR-TRE-67513f76-81
0.365
DAR-DIA-842b4336-11
0.365
DAR-DIA-842b4336-12
0.365
DAR-DIA-842b4336-13
0.365
MAR-TRE-67513f76-13
0.363
DAR-DIA-842b4336-16
0.360
ANN-UNI-26382800-5
0.360
MAR-TRE-2fd8122f-37
0.359
MAK-UNK-129dcd6f-9
0.358
CHA-MCP-85291e1d-2
0.356
MAK-UNK-ca11b4f7-1
0.355
MAR-TRE-9c797165-14
0.354
MAK-UNK-c749d764-14
0.352
CHA-MCP-85291e1d-5
0.352
MAK-UNK-10dfa458-24
0.351
MAK-UNK-a7b37c5e-2
0.345
DAR-DIA-23aa0b97-17
0.344
DAR-DIA-842b4336-15
0.344
MAK-UNK-c749d764-23
0.344
MAR-TRE-c317dd82-59
0.344
CHA-MCP-85291e1d-1
0.340
MAR-TRE-04c86cea-41
0.340
MAR-TRE-74c6519b-19
0.339
MAR-TRE-f6f5f473-95
0.337
MAR-TRE-f6f5f473-29
0.333
KEI-TRE-d5e2018a-28
0.333
MAR-TRE-74c6519b-55
0.333
MAR-TRE-b77b7921-39
0.330
KAL-WAB-eb347ebe-1
0.330
MAR-TRE-7f7bb9f0-46
0.330
ALE-HEI-f28a35b5-14
0.329
KEI-TRE-d5e2018a-26
0.327
MAR-TRE-66ac689e-28
0.326
MAR-TRE-2fd8122f-46
0.324
KEI-TRE-d5e2018a-22
0.323
MAR-TRE-2fd8122f-39
0.323
MAR-TRE-3e4e6814-45
0.323
MAR-TRE-9c797165-52
0.323
AAR-POS-d2a4d1df-13
0.322
ALE-HEI-f28a35b5-9
0.322
FRA-FAC-9ed5a63a-1
0.322
MAR-TRE-2fd8122f-57
0.319
DAR-DIA-23aa0b97-15
0.318
MAR-TRE-67513f76-55
0.316
MAR-TRE-9c797165-94
0.316
MAR-TRE-4b834d9a-31
0.316
MAK-UNK-d1e89583-9
0.315
AUS-ARG-7cfdce8f-11
0.314
MAR-TRE-2fd8122f-94
0.314
MAR-TRE-4b834d9a-16
0.313
KEI-TRE-d5e2018a-7
0.313
MAR-TRE-2fd8122f-32
0.313
MAR-TRE-3e4e6814-8
0.312
MAR-TRE-7f7bb9f0-90
0.312
MAR-TRE-7f7bb9f0-49
0.311
MAR-TRE-7f7bb9f0-74
0.311
MAK-UNK-d1e89583-7
0.310
ISA-SCH-8e98219b-4
0.310
DAR-DIA-842b4336-1
0.310
MAR-TRE-2fd8122f-2
0.309
AAR-POS-d2a4d1df-11
0.309
MAR-TRE-67513f76-93
0.308
MAR-TRE-7f7bb9f0-56
0.308
MAR-TRE-f6f5f473-85
0.308
MAD-FNM-74857450-1
0.308
MED-UNK-e6e8ef8a-4
0.308
MAR-TRE-2fd8122f-31
0.307
MAR-TRE-4b834d9a-57
0.307
MAR-TRE-2fd8122f-96
0.307
KEI-TRE-d5e2018a-90
0.307
ALE-HEI-f28a35b5-4
0.307
MAR-TRE-9c797165-60
0.306
MAR-TRE-2fd8122f-58
0.305
CHR-SOS-70e4c98a-3
0.305