Molecular Properties | |
SMILES: | CC(=O)c1ccc(NC(=O)CSc2nc(C)cc(C)c2C#N)cc1 |
MW: | 339.1 |
Fraction sp3: | 0.22 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 82.85 |
cLogP: | 3.5 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7276383375 |
MolPort: | MolPort-001-959-385 |
Ketone
MAR-TRE-1c920f6f-20
0.803
MAR-TRE-a3327163-88
0.735
MAR-TRE-1c920f6f-95
0.729
MAR-TRE-a3327163-80
0.581
MAR-TRE-a3327163-29
0.575
MAR-TRE-a3327163-11
0.571
MAR-TRE-0fda4e82-30
0.530
MAR-TRE-6c5ef77a-32
0.506
MAR-TRE-1c920f6f-29
0.500
MAR-TRE-1c920f6f-94
0.500
MAR-TRE-a3327163-8
0.493
MAR-TRE-14ce9fd6-50
0.493
MAR-TRE-0fda4e82-31
0.488
MAR-TRE-1c920f6f-53
0.481
MAR-TRE-a3327163-21
0.479
MAR-TRE-a3327163-6
0.474
MAR-TRE-a3327163-25
0.473
MAR-TRE-a3327163-82
0.469
MAR-TRE-6c5ef77a-74
0.444
MAR-TRE-1c920f6f-81
0.444
MAR-TRE-a3327163-71
0.432
MAR-TRE-6c5ef77a-17
0.422
MAR-TRE-14ce9fd6-77
0.421
MAR-TRE-0fda4e82-76
0.417
MAR-TRE-0fda4e82-59
0.404
MAR-TRE-6c5ef77a-47
0.398
MAR-TRE-f5c2d31c-6
0.398
MAR-TRE-0fda4e82-72
0.398
MAR-TRE-1c920f6f-19
0.391
MAR-TRE-14ce9fd6-7
0.391
MAR-TRE-6c5ef77a-67
0.388
MAR-TRE-a3327163-41
0.388
MAR-TRE-14ce9fd6-57
0.388
MAR-TRE-14ce9fd6-23
0.386
MAR-TRE-a3327163-18
0.385
MAR-TRE-14ce9fd6-27
0.384
MAR-TRE-14ce9fd6-6
0.383
MAR-TRE-6c5ef77a-28
0.382
MAR-TRE-1c920f6f-70
0.375
MAR-TRE-6c5ef77a-29
0.374
MAR-TRE-a3327163-43
0.373
MAR-TRE-1c920f6f-47
0.373
MAR-TRE-1c920f6f-30
0.371
MAR-TRE-6c5ef77a-68
0.371
MAR-TRE-0fda4e82-56
0.370
MAR-TRE-6c5ef77a-66
0.369
MAR-TRE-6c5ef77a-9
0.365
MAR-TRE-6c5ef77a-64
0.364
MAR-TRE-0fda4e82-96
0.360
MAR-TRE-1c920f6f-26
0.360
MAR-TRE-a3327163-30
0.359
MAR-TRE-0fda4e82-81
0.358
MAR-TRE-a3327163-32
0.357
MAR-TRE-f5c2d31c-44
0.354
MAR-TRE-a3327163-53
0.354
MAR-TRE-6c5ef77a-58
0.352
MAR-TRE-6c5ef77a-18
0.350
MAR-TRE-1c920f6f-42
0.349
MAR-TRE-0fda4e82-42
0.348
MAR-TRE-6c5ef77a-92
0.344
MAR-TRE-0fda4e82-94
0.344
MAR-TRE-14ce9fd6-43
0.341
MAR-TRE-a3327163-42
0.337
MAR-TRE-f5c2d31c-17
0.337
MAR-TRE-6c5ef77a-16
0.337
MAR-TRE-a3327163-24
0.333
MAR-TRE-0fda4e82-53
0.333
MAR-TRE-0fda4e82-68
0.333
MAR-TRE-6c5ef77a-55
0.330
MAR-TRE-0fda4e82-36
0.330
MAR-TRE-0fda4e82-11
0.329
MAR-TRE-6c5ef77a-12
0.326
MAR-TRE-6c5ef77a-51
0.326
MAR-TRE-6c5ef77a-46
0.326
MAR-TRE-0fda4e82-82
0.326
MAR-TRE-0fda4e82-14
0.325
MAR-TRE-1c920f6f-75
0.325
MAR-TRE-0fda4e82-47
0.322
MAR-TRE-6c5ef77a-14
0.322
MAR-TRE-1c920f6f-65
0.322
MAR-TRE-6c5ef77a-35
0.319
MAR-TRE-6c5ef77a-33
0.319
MAR-TRE-f5c2d31c-10
0.317
MAR-TRE-6c5ef77a-48
0.316
MAR-TRE-1c920f6f-58
0.316
MAR-TRE-14ce9fd6-78
0.316
MAR-TRE-6c5ef77a-26
0.315
MAR-TRE-0fda4e82-29
0.312
MAR-TRE-6c5ef77a-96
0.312
MAR-TRE-0fda4e82-63
0.312
MAR-TRE-14ce9fd6-37
0.312
MAR-TRE-a3327163-37
0.311
MAR-TRE-14ce9fd6-53
0.310
MAR-TRE-a3327163-60
0.308
MAR-TRE-1c920f6f-44
0.308
MAR-TRE-a3327163-15
0.307
MAR-TRE-6c5ef77a-5
0.307
MAR-TRE-1c920f6f-1
0.306
MAR-TRE-f5c2d31c-100
0.306
MAR-TRE-a3327163-40
0.304