Molecular Properties | |
SMILES: | CC(C)(C)NC(=O)Cn1c(=O)n(-c2ccc(F)cc2)c2ncccc21 |
MW: | 342.15 |
Fraction sp3: | 0.28 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 68.92 |
cLogP: | 2.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5545550919 |
MAR-TRE-9c797165-78
0.675
MAR-TRE-67513f76-23
0.675
MAR-TRE-3e4e6814-75
0.671
MAR-TRE-4b834d9a-60
0.662
MAR-TRE-3e4e6814-73
0.637
MAR-TRE-74c6519b-30
0.634
MAR-TRE-67513f76-11
0.630
MAR-TRE-b77b7921-59
0.630
MAR-TRE-9c797165-85
0.627
MAR-TRE-74c6519b-70
0.624
MAR-TRE-9c797165-23
0.622
MAR-TRE-74c6519b-86
0.619
MAR-TRE-4b834d9a-35
0.614
MAR-TRE-4b834d9a-54
0.614
MAR-TRE-4b834d9a-69
0.607
MAR-TRE-4b834d9a-76
0.607
MAR-TRE-d0525fbf-21
0.607
MAR-TRE-7f7bb9f0-70
0.605
MAR-TRE-7f7bb9f0-22
0.600
MAR-TRE-3e4e6814-20
0.600
MAR-TRE-d0525fbf-89
0.598
MAR-TRE-f6f5f473-17
0.595
MAR-TRE-7f7bb9f0-71
0.593
MAR-TRE-67513f76-62
0.593
MAR-TRE-d0525fbf-71
0.589
MAR-TRE-7f7bb9f0-65
0.588
MAR-TRE-d0525fbf-70
0.584
MAR-TRE-d0525fbf-37
0.581
MAR-TRE-d0525fbf-68
0.578
MAR-TRE-67513f76-72
0.578
MAR-TRE-67513f76-15
0.567
MAR-TRE-7f7bb9f0-73
0.565
MAR-TRE-9c797165-100
0.560
MAR-TRE-04c86cea-52
0.560
MAR-TRE-3e4e6814-69
0.532
MAR-TRE-b77b7921-20
0.527
MAR-TRE-3e4e6814-4
0.522
MAR-TRE-7f7bb9f0-3
0.516
MAR-TRE-f6f5f473-22
0.516
MAR-TRE-3e4e6814-18
0.512
MAR-TRE-f6f5f473-12
0.511
MAR-TRE-d0525fbf-2
0.511
MAR-TRE-f6f5f473-55
0.506
MAR-TRE-7f7bb9f0-1
0.505
MAR-TRE-d0525fbf-44
0.505
MAR-TRE-04c86cea-80
0.500
MAR-TRE-d0525fbf-8
0.500
MAR-TRE-74c6519b-39
0.500
MAR-TRE-d0525fbf-3
0.495
MAR-TRE-b77b7921-27
0.495
MAR-TRE-3e4e6814-86
0.494
MAR-TRE-74c6519b-92
0.494
MAR-TRE-4b834d9a-23
0.494
MAR-TRE-04c86cea-57
0.489
MAR-TRE-04c86cea-70
0.489
MAR-TRE-4b834d9a-36
0.489
MAR-TRE-b77b7921-43
0.489
MAR-TRE-f6f5f473-68
0.489
MAR-TRE-b77b7921-100
0.489
MAR-TRE-f6f5f473-94
0.488
MAR-TRE-04c86cea-60
0.484
MAR-TRE-3e4e6814-21
0.484
MAR-TRE-04c86cea-45
0.483
MAR-TRE-d0525fbf-9
0.478
MAR-TRE-f6f5f473-53
0.477
MAR-TRE-3e4e6814-2
0.474
MAR-TRE-3e4e6814-60
0.473
MAR-TRE-3e4e6814-25
0.473
MAR-TRE-f6f5f473-34
0.472
MAR-TRE-d0525fbf-12
0.468
MAR-TRE-b77b7921-98
0.467
MAR-TRE-9c797165-15
0.464
MAR-TRE-3e4e6814-26
0.464
MAR-TRE-3e4e6814-10
0.460
MAR-TRE-b77b7921-68
0.459
MAR-TRE-d0525fbf-6
0.458
MAR-TRE-b77b7921-48
0.458
MAR-TRE-f6f5f473-20
0.456
MAR-TRE-04c86cea-21
0.456
MAR-TRE-04c86cea-69
0.456
MAR-TRE-04c86cea-33
0.454
MAR-TRE-d0525fbf-79
0.452
MAR-TRE-74c6519b-77
0.443
MAR-TRE-74c6519b-72
0.439
MAR-TRE-74c6519b-45
0.438
MAR-TRE-4b834d9a-32
0.437
MAR-TRE-04c86cea-58
0.433
MAR-TRE-4b834d9a-30
0.404
MAR-TRE-04c86cea-63
0.396
MAR-TRE-d0525fbf-24
0.366
MAR-TRE-04c86cea-73
0.364
MAR-TRE-7f7bb9f0-93
0.361
MAR-TRE-74c6519b-16
0.359
MAR-TRE-04c86cea-9
0.359
MAR-TRE-4b834d9a-2
0.358
MAR-TRE-4b834d9a-14
0.357
MAR-TRE-9c797165-18
0.354
MAR-TRE-3e4e6814-19
0.353
MAR-TRE-3e4e6814-1
0.352
MAR-TRE-4b834d9a-99
0.351