Molecular Properties | |
SMILES: | COc1ccc(CNC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)cc1OC |
MW: | 436.15 |
Fraction sp3: | 0.17 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 87.38 |
cLogP: | 2.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3077722721 |
MolPort: | MolPort-028-859-071 |
MAR-TRE-b77b7921-48
0.826
MAR-TRE-74c6519b-45
0.802
MAR-TRE-d0525fbf-68
0.728
MAR-TRE-4b834d9a-60
0.726
MAR-TRE-7f7bb9f0-70
0.722
MAR-TRE-4b834d9a-69
0.708
MAR-TRE-74c6519b-70
0.703
MAR-TRE-d0525fbf-37
0.700
MAR-TRE-74c6519b-30
0.697
MAR-TRE-67513f76-11
0.693
MAR-TRE-3e4e6814-73
0.682
MAR-TRE-4b834d9a-35
0.678
MAR-TRE-7f7bb9f0-73
0.677
MAR-TRE-d0525fbf-71
0.667
MAR-TRE-f6f5f473-17
0.659
MAR-TRE-d0525fbf-8
0.646
MAR-TRE-9c797165-78
0.640
MAR-TRE-7f7bb9f0-3
0.632
MAR-TRE-7f7bb9f0-22
0.628
MAR-TRE-04c86cea-52
0.626
MAR-TRE-d0525fbf-21
0.617
MAR-TRE-9c797165-85
0.617
MAR-TRE-f6f5f473-22
0.615
MAR-TRE-9c797165-23
0.613
MAR-TRE-74c6519b-86
0.611
MAR-TRE-4b834d9a-54
0.606
MAR-TRE-3e4e6814-2
0.602
MAR-TRE-d0525fbf-6
0.602
MAR-TRE-3e4e6814-21
0.600
MAR-TRE-4b834d9a-76
0.600
MAR-TRE-04c86cea-33
0.596
MAR-TRE-4b834d9a-23
0.596
MAR-TRE-d0525fbf-9
0.594
MAR-TRE-b77b7921-59
0.585
MAR-TRE-7f7bb9f0-78
0.584
MAR-TRE-7f7bb9f0-1
0.584
MAR-TRE-04c86cea-60
0.583
MAR-TRE-04c86cea-58
0.576
MAR-TRE-d0525fbf-2
0.574
MAR-TRE-04c86cea-70
0.571
MAR-TRE-d0525fbf-44
0.569
MAR-TRE-74c6519b-39
0.568
MAR-TRE-d0525fbf-79
0.567
MAR-TRE-f6f5f473-55
0.558
MAR-TRE-7f7bb9f0-71
0.556
MAR-TRE-3e4e6814-4
0.554
MAR-TRE-67513f76-23
0.553
MAR-TRE-04c86cea-80
0.552
MAR-TRE-3e4e6814-75
0.548
MAR-TRE-d0525fbf-3
0.545
MAR-TRE-d0525fbf-89
0.545
MAR-TRE-b77b7921-20
0.545
MAR-TRE-f6f5f473-94
0.543
MAR-TRE-f6f5f473-34
0.542
MAR-TRE-67513f76-62
0.540
MAR-TRE-67513f76-15
0.534
MAR-TRE-67513f76-72
0.529
MAR-TRE-04c86cea-21
0.526
MAR-TRE-f6f5f473-20
0.526
MAR-TRE-4b834d9a-36
0.525
MAR-TRE-74c6519b-77
0.524
MAR-TRE-d0525fbf-12
0.520
MAR-TRE-f6f5f473-12
0.515
MAR-TRE-b77b7921-27
0.515
MAR-TRE-b77b7921-43
0.510
MAR-TRE-b77b7921-68
0.509
MAR-TRE-3e4e6814-18
0.500
MAR-TRE-3e4e6814-86
0.500
MAR-TRE-74c6519b-92
0.500
MAR-TRE-f6f5f473-68
0.495
MAR-TRE-3e4e6814-20
0.495
MAR-TRE-74c6519b-72
0.491
MAR-TRE-04c86cea-45
0.490
MAR-TRE-9c797165-100
0.486
MAR-TRE-7f7bb9f0-65
0.485
MAR-TRE-04c86cea-69
0.465
MAR-TRE-f6f5f473-53
0.455
MAR-TRE-3e4e6814-25
0.453
MAR-TRE-04c86cea-63
0.452
MAR-TRE-04c86cea-57
0.439
MAR-TRE-3e4e6814-60
0.439
MAR-TRE-3e4e6814-69
0.438
MAR-TRE-3e4e6814-26
0.432
MAR-TRE-4b834d9a-2
0.431
MAR-TRE-f6f5f473-45
0.431
MAR-TRE-4b834d9a-14
0.429
MAR-TRE-4b834d9a-25
0.427
MAR-TRE-04c86cea-72
0.426
MAR-TRE-04c86cea-20
0.425
MAR-TRE-4b834d9a-3
0.423
MAR-TRE-04c86cea-73
0.421
MAR-TRE-4b834d9a-18
0.421
MAR-TRE-b77b7921-98
0.421
MAR-TRE-04c86cea-56
0.417
MAR-TRE-4b834d9a-39
0.416
MAR-TRE-4b834d9a-11
0.413
MAR-TRE-4b834d9a-21
0.413
MAR-TRE-d0525fbf-5
0.411
MAR-TRE-b77b7921-2
0.407
MAR-TRE-f6f5f473-72
0.405