Molecular Properties | |
SMILES: | CC(=O)Nc1ccc(NC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)cc1 |
MW: | 419.14 |
Fraction sp3: | 0.09 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 98.02 |
cLogP: | 2.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2164451220 |
MolPort: | MolPort-028-859-006 |
MAR-TRE-7f7bb9f0-78
0.675
MAR-TRE-9c797165-100
0.652
MAR-TRE-9c797165-78
0.634
MAR-TRE-3e4e6814-75
0.630
MAR-TRE-4b834d9a-60
0.622
MAR-TRE-67513f76-11
0.612
MAR-TRE-3e4e6814-73
0.600
MAR-TRE-74c6519b-30
0.598
MAR-TRE-b77b7921-59
0.593
MAR-TRE-9c797165-85
0.591
MAR-TRE-9c797165-23
0.586
MAR-TRE-74c6519b-86
0.584
MAR-TRE-d0525fbf-89
0.582
MAR-TRE-4b834d9a-54
0.580
MAR-TRE-4b834d9a-35
0.580
MAR-TRE-4b834d9a-76
0.573
MAR-TRE-d0525fbf-21
0.573
MAR-TRE-4b834d9a-69
0.573
MAR-TRE-7f7bb9f0-70
0.571
MAR-TRE-74c6519b-70
0.571
MAR-TRE-7f7bb9f0-22
0.567
MAR-TRE-3e4e6814-20
0.565
MAR-TRE-f6f5f473-17
0.562
MAR-TRE-7f7bb9f0-71
0.560
MAR-TRE-67513f76-62
0.560
MAR-TRE-d0525fbf-70
0.553
MAR-TRE-7f7bb9f0-65
0.553
MAR-TRE-d0525fbf-37
0.549
MAR-TRE-d0525fbf-68
0.547
MAR-TRE-67513f76-72
0.547
MAR-TRE-04c86cea-52
0.545
MAR-TRE-d0525fbf-71
0.542
MAR-TRE-67513f76-15
0.537
MAR-TRE-7f7bb9f0-73
0.536
MAR-TRE-3e4e6814-69
0.518
MAR-TRE-3e4e6814-18
0.500
MAR-TRE-b77b7921-20
0.500
MAR-TRE-3e4e6814-4
0.495
MAR-TRE-7f7bb9f0-3
0.490
MAR-TRE-f6f5f473-22
0.490
MAR-TRE-74c6519b-39
0.489
MAR-TRE-d0525fbf-2
0.485
MAR-TRE-b77b7921-27
0.484
MAR-TRE-f6f5f473-12
0.484
MAR-TRE-d0525fbf-44
0.480
MAR-TRE-7f7bb9f0-1
0.480
MAR-TRE-4b834d9a-36
0.479
MAR-TRE-b77b7921-43
0.479
MAR-TRE-f6f5f473-55
0.478
MAR-TRE-f6f5f473-94
0.477
MAR-TRE-d0525fbf-8
0.475
MAR-TRE-04c86cea-60
0.474
MAR-TRE-7f7bb9f0-93
0.473
MAR-TRE-04c86cea-80
0.473
MAR-TRE-04c86cea-45
0.473
MAR-TRE-d0525fbf-3
0.469
MAR-TRE-3e4e6814-86
0.468
MAR-TRE-4b834d9a-23
0.468
MAR-TRE-74c6519b-92
0.468
MAR-TRE-f6f5f473-53
0.467
MAR-TRE-04c86cea-57
0.464
MAR-TRE-04c86cea-70
0.464
MAR-TRE-f6f5f473-68
0.463
MAR-TRE-b77b7921-100
0.462
MAR-TRE-f6f5f473-34
0.462
MAR-TRE-3e4e6814-21
0.458
MAR-TRE-b77b7921-98
0.458
MAR-TRE-d0525fbf-9
0.454
MAR-TRE-3e4e6814-60
0.449
MAR-TRE-3e4e6814-25
0.449
MAR-TRE-04c86cea-69
0.447
MAR-TRE-f6f5f473-20
0.447
MAR-TRE-04c86cea-21
0.447
MAR-TRE-d0525fbf-12
0.444
MAR-TRE-d0525fbf-79
0.443
MAR-TRE-3e4e6814-26
0.441
MAR-TRE-b77b7921-68
0.437
MAR-TRE-d0525fbf-6
0.436
MAR-TRE-3e4e6814-2
0.436
MAR-TRE-b77b7921-48
0.436
MAR-TRE-3e4e6814-10
0.435
MAR-TRE-74c6519b-72
0.431
MAR-TRE-04c86cea-33
0.431
MAR-TRE-74c6519b-45
0.430
MAR-TRE-4b834d9a-32
0.429
MAR-TRE-04c86cea-58
0.426
MAR-TRE-74c6519b-77
0.422
MAR-TRE-7f7bb9f0-77
0.418
MAR-TRE-4b834d9a-72
0.418
MAR-TRE-d0525fbf-76
0.414
MAR-TRE-d0525fbf-31
0.408
MAR-TRE-4b834d9a-30
0.385
MAR-TRE-9c797165-92
0.370
MAR-TRE-67513f76-52
0.369
MAR-TRE-67513f76-76
0.363
MAR-TRE-04c86cea-63
0.363
MAR-TRE-04c86cea-30
0.356
MAR-TRE-7f7bb9f0-52
0.353
MAR-TRE-3e4e6814-48
0.350
MAR-TRE-74c6519b-74
0.350