Molecular Properties | |
SMILES: | Cc1cc(C)c(C#N)c(SCC(=O)Nc2nccs2)n1 |
MW: | 304.05 |
Fraction sp3: | 0.23 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 78.67 |
cLogP: | 2.76 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4092012983 |
MolPort: | MolPort-001-887-234 |
aminothiazole
MAR-TRE-a3327163-80
0.652
MAR-TRE-6c5ef77a-68
0.587
MAR-TRE-a3327163-88
0.575
MAR-TRE-1c920f6f-100
0.575
MAR-TRE-a3327163-11
0.574
MAR-TRE-1c920f6f-20
0.568
MAR-TRE-0fda4e82-30
0.556
MAR-TRE-1c920f6f-95
0.553
MAR-TRE-a3327163-15
0.534
MAR-TRE-0fda4e82-63
0.526
MAR-TRE-1c920f6f-53
0.521
MAR-TRE-1c920f6f-58
0.518
MAR-TRE-a3327163-8
0.514
MAR-TRE-a3327163-21
0.500
MAR-TRE-a3327163-6
0.493
MAR-TRE-a3327163-25
0.493
MAR-TRE-6c5ef77a-22
0.487
MAR-TRE-1c920f6f-81
0.481
MAR-TRE-1c920f6f-29
0.480
MAR-TRE-1c920f6f-94
0.480
MAR-TRE-6c5ef77a-29
0.470
MAR-TRE-6c5ef77a-28
0.463
MAR-TRE-14ce9fd6-50
0.452
MAR-TRE-14ce9fd6-77
0.400
MAR-TRE-6c5ef77a-14
0.398
MAR-TRE-6c5ef77a-61
0.392
MAR-TRE-fd17a9b8-43
0.391
MAR-TRE-6c5ef77a-32
0.386
MAR-TRE-a3327163-41
0.385
MAR-TRE-14ce9fd6-57
0.385
MAR-TRE-a3327163-18
0.382
MAR-TRE-6c5ef77a-9
0.378
MAR-TRE-6c5ef77a-17
0.374
MAR-TRE-6c5ef77a-20
0.369
MAR-TRE-6c5ef77a-18
0.364
MAR-TRE-6c5ef77a-33
0.360
MAR-TRE-0fda4e82-42
0.360
MAR-TRE-6c5ef77a-26
0.357
MAR-TRE-1c920f6f-70
0.356
MAR-TRE-14ce9fd6-23
0.349
MAR-TRE-a3327163-20
0.345
MAR-TRE-0fda4e82-68
0.344
MAR-TRE-6c5ef77a-40
0.341
MAR-TRE-a3327163-30
0.341
MAR-TRE-0fda4e82-59
0.341
MAR-TRE-0fda4e82-36
0.340
MAR-TRE-a3327163-60
0.338
MAR-TRE-a3327163-82
0.333
MAR-TRE-fd17a9b8-84
0.333
MAR-TRE-f5c2d31c-6
0.333
MAR-TRE-6c5ef77a-47
0.333
MAR-TRE-0fda4e82-53
0.330
MAR-TRE-6c5ef77a-74
0.326
MAR-TRE-1c920f6f-30
0.322
MAR-TRE-a3327163-61
0.321
MAR-TRE-14ce9fd6-27
0.318
MAR-TRE-6c5ef77a-5
0.318
MAR-TRE-1c920f6f-26
0.311
MAR-TRE-a3327163-24
0.310
MAR-TRE-6c5ef77a-96
0.308
MAR-TRE-a3327163-34
0.308
MAR-TRE-14ce9fd6-43
0.307
MAR-TRE-1c920f6f-4
0.306
MAR-TRE-14ce9fd6-53
0.305
MAR-TRE-1c920f6f-12
0.299
MAR-TRE-0fda4e82-19
0.299
MAR-TRE-0fda4e82-21
0.297
MAR-TRE-0fda4e82-20
0.297
MAR-TRE-74c6519b-44
0.296
MAR-TRE-a3327163-71
0.295
MAR-TRE-a3327163-50
0.294
MAR-TRE-0fda4e82-31
0.293
MAR-TRE-1c920f6f-46
0.293
MAR-TRE-6c5ef77a-67
0.292
MAR-TRE-a3327163-43
0.291
MAR-TRE-0fda4e82-82
0.291
MAR-TRE-d0525fbf-93
0.290
MAR-TRE-1c920f6f-7
0.290
MAR-TRE-0fda4e82-8
0.290
MAR-TRE-0fda4e82-76
0.289
MAR-TRE-0fda4e82-47
0.289
MAR-TRE-1c920f6f-1
0.289
MAR-TRE-a3327163-37
0.288
MAR-TRE-0fda4e82-60
0.287
UNK-CYC-68f84b31-10
0.286
MAR-TRE-6c5ef77a-55
0.286
LON-WEI-5e7d1b3e-73
0.286
MAR-TRE-0fda4e82-89
0.286
LON-WEI-4d77710c-73
0.286
MAR-TRE-2fd8122f-32
0.286
MAR-TRE-e86a56b5-26
0.284
MAR-TRE-0fda4e82-94
0.284
MAR-TRE-0fda4e82-90
0.283
MAR-TRE-6c5ef77a-27
0.283
MAR-TRE-0fda4e82-100
0.283
MAR-TRE-1c920f6f-42
0.282
MAR-TRE-1c920f6f-5
0.282
MAR-TRE-0fda4e82-38
0.281
MAR-TRE-0fda4e82-43
0.281
MAR-TRE-0fda4e82-22
0.280