Molecular Properties | |
SMILES: | CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2ccc(N)nc2)cs1 |
MW: | 333.13 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 110.0 |
cLogP: | 2.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9779353315 |
MolPort: | MolPort-045-568-616 |
aniline
aminothiazole
MAR-TRE-7f7bb9f0-63
0.725
MAR-TRE-67513f76-35
0.524
MAR-TRE-9c797165-70
0.459
MAR-TRE-4b834d9a-59
0.409
MAR-TRE-2fd8122f-26
0.402
MAR-TRE-2fd8122f-23
0.400
MAR-TRE-2fd8122f-53
0.391
MAR-TRE-2fd8122f-66
0.387
MAT-POS-ea426761-12
0.376
MAR-TRE-7f7bb9f0-20
0.370
MAR-TRE-67513f76-44
0.366
MAR-TRE-74c6519b-53
0.365
MAR-TRE-b77b7921-63
0.356
MAR-TRE-4b834d9a-89
0.349
MAR-TRE-67513f76-47
0.349
MAR-TRE-3e4e6814-87
0.349
MAR-TRE-7f7bb9f0-99
0.349
MAR-TRE-f6f5f473-73
0.348
MAR-TRE-67513f76-99
0.346
MAR-TRE-9c797165-2
0.345
MAR-TRE-67513f76-14
0.345
MAR-TRE-04c86cea-44
0.344
MAR-TRE-3e4e6814-39
0.341
JAG-UCB-a3ef7265-11
0.337
MAR-TRE-2fd8122f-99
0.337
MAR-TRE-74c6519b-12
0.337
MAR-TRE-04c86cea-62
0.337
MAR-TRE-67513f76-3
0.333
MAR-TRE-74c6519b-52
0.333
MAR-TRE-74c6519b-46
0.333
MAR-TRE-67513f76-75
0.329
MAR-TRE-9c797165-4
0.326
MAR-TRE-7f7bb9f0-45
0.322
MAR-TRE-d0525fbf-82
0.319
MAR-TRE-3e4e6814-58
0.318
MAR-TRE-7f7bb9f0-86
0.318
MAR-TRE-9c797165-84
0.318
MAR-TRE-f6f5f473-91
0.315
MAR-TRE-9c797165-77
0.313
MAR-TRE-67513f76-31
0.312
MAR-TRE-9c797165-44
0.309
MAR-TRE-67513f76-22
0.309
MAR-TRE-7f7bb9f0-14
0.308
MAR-TRE-67513f76-60
0.308
MAR-TRE-f6f5f473-56
0.307
MAR-TRE-74c6519b-29
0.305
MAR-TRE-74c6519b-50
0.301
MAR-TRE-3e4e6814-96
0.300
MAR-TRE-d0525fbf-30
0.299
MAR-TRE-67513f76-69
0.299
MAR-TRE-f6f5f473-69
0.298
MAR-TRE-7f7bb9f0-67
0.290
MAR-TRE-7f7bb9f0-47
0.289
MAR-TRE-04c86cea-38
0.289
MAR-TRE-f6f5f473-28
0.287
MAR-TRE-04c86cea-78
0.287
MAR-TRE-9c797165-68
0.284
MAR-TRE-f6f5f473-90
0.281
MAR-TRE-f6f5f473-97
0.281
MAR-TRE-4b834d9a-65
0.276
MAR-TRE-74c6519b-24
0.276
MAR-TRE-7f7bb9f0-21
0.274
MAR-TRE-4b834d9a-58
0.274
MAR-TRE-b77b7921-72
0.270
MAR-TRE-7f7bb9f0-11
0.269
MAR-TRE-f6f5f473-9
0.268
EDG-MED-0da5ad92-13
0.267
MAR-TRE-f6f5f473-74
0.263
MAR-TRE-74c6519b-48
0.263
MAR-TRE-f6f5f473-77
0.260
MAR-TRE-3e4e6814-23
0.258
MAR-TRE-d0525fbf-50
0.257
MAR-TRE-f6f5f473-8
0.255
MAR-TRE-f6f5f473-39
0.253
MAR-TRE-87acfbcc-65
0.253
DAR-DIA-842b4336-10
0.250
LON-WEI-5e7d1b3e-24
0.248
LON-WEI-4d77710c-24
0.248
LON-WEI-5e7d1b3e-29
0.243
LON-WEI-4d77710c-29
0.243
MAR-TRE-f6f5f473-14
0.241
MAR-TRE-7f7bb9f0-13
0.240
MAR-TRE-74c6519b-69
0.239
MAK-UNK-a7b37c5e-5
0.238
MAR-TRE-67513f76-13
0.237
MAR-TRE-67513f76-93
0.236
JAG-UCB-cedd89ab-9
0.233
MAK-UNK-c749d764-17
0.233
MAR-TRE-04c86cea-19
0.232
JUL-TUD-06b2044f-139
0.231
DAR-DIA-842b4336-12
0.230
ALE-HEI-f28a35b5-5
0.230
BEN-VAN-ed886787-16
0.229
MAR-TRE-f6f5f473-37
0.229
IAN-BAS-daf5a467-1
0.229
MAR-TRE-3e4e6814-22
0.229
MAR-TRE-b77b7921-9
0.229
MAR-TRE-67513f76-90
0.228
DAR-DIA-842b4336-16
0.227
MAR-TRE-4b834d9a-78
0.226