Molecular Properties | |
SMILES: | COc1ccc(CNC(=O)Cn2c(=O)n(-c3ccccc3)c3ncccc32)cc1OC |
MW: | 418.16 |
Fraction sp3: | 0.17 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 87.38 |
cLogP: | 2.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4995425442 |
MolPort: | MolPort-028-858-896 |
MAR-TRE-b77b7921-48
0.812
MAR-TRE-d0525fbf-70
0.802
MAR-TRE-04c86cea-58
0.719
MAR-TRE-d0525fbf-79
0.713
MAR-TRE-f6f5f473-94
0.695
MAR-TRE-f6f5f473-34
0.686
MAR-TRE-04c86cea-60
0.674
MAR-TRE-f6f5f473-20
0.667
MAR-TRE-04c86cea-21
0.667
MAR-TRE-04c86cea-52
0.667
MAR-TRE-74c6519b-77
0.656
MAR-TRE-4b834d9a-23
0.633
MAR-TRE-3e4e6814-18
0.621
MAR-TRE-74c6519b-72
0.615
MAR-TRE-04c86cea-69
0.593
MAR-TRE-f6f5f473-55
0.593
MAR-TRE-4b834d9a-36
0.589
MAR-TRE-d0525fbf-6
0.588
MAR-TRE-3e4e6814-2
0.588
MAR-TRE-04c86cea-45
0.587
MAR-TRE-3e4e6814-21
0.585
MAR-TRE-d0525fbf-8
0.582
MAR-TRE-04c86cea-33
0.582
MAR-TRE-d0525fbf-9
0.579
MAR-TRE-d0525fbf-37
0.579
MAR-TRE-b77b7921-27
0.579
MAR-TRE-3e4e6814-73
0.576
MAR-TRE-d0525fbf-68
0.576
MAR-TRE-b77b7921-43
0.573
MAR-TRE-3e4e6814-69
0.570
MAR-TRE-7f7bb9f0-3
0.567
MAR-TRE-7f7bb9f0-70
0.567
MAR-TRE-f6f5f473-53
0.565
MAR-TRE-4b834d9a-60
0.560
MAR-TRE-04c86cea-70
0.557
MAR-TRE-74c6519b-39
0.553
MAR-TRE-4b834d9a-69
0.552
MAR-TRE-74c6519b-70
0.551
MAR-TRE-f6f5f473-22
0.551
MAR-TRE-f6f5f473-17
0.542
MAR-TRE-74c6519b-30
0.542
MAR-TRE-67513f76-11
0.537
MAR-TRE-04c86cea-80
0.537
MAR-TRE-b77b7921-98
0.536
MAR-TRE-7f7bb9f0-73
0.534
MAR-TRE-4b834d9a-35
0.526
MAR-TRE-d0525fbf-71
0.524
MAR-TRE-d0525fbf-12
0.520
MAR-TRE-d0525fbf-3
0.515
MAR-TRE-b77b7921-100
0.510
MAR-TRE-7f7bb9f0-1
0.510
MAR-TRE-d0525fbf-2
0.500
MAR-TRE-74c6519b-92
0.500
MAR-TRE-d0525fbf-44
0.495
MAR-TRE-b77b7921-68
0.495
MAR-TRE-f6f5f473-68
0.495
MAR-TRE-9c797165-78
0.490
MAR-TRE-74c6519b-86
0.485
MAR-TRE-7f7bb9f0-22
0.485
MAR-TRE-f6f5f473-12
0.485
MAR-TRE-9c797165-23
0.485
MAR-TRE-3e4e6814-86
0.485
MAR-TRE-3e4e6814-4
0.481
MAR-TRE-4b834d9a-54
0.480
MAR-TRE-4b834d9a-32
0.479
MAR-TRE-9c797165-85
0.475
MAR-TRE-d0525fbf-21
0.475
MAR-TRE-4b834d9a-76
0.475
MAR-TRE-b77b7921-20
0.471
MAR-TRE-b77b7921-59
0.446
MAR-TRE-3e4e6814-25
0.438
MAR-TRE-7f7bb9f0-78
0.438
MAR-TRE-04c86cea-20
0.436
MAR-TRE-4b834d9a-3
0.436
MAR-TRE-b77b7921-2
0.433
MAR-TRE-67513f76-23
0.430
MAR-TRE-4b834d9a-39
0.429
MAR-TRE-04c86cea-56
0.429
MAR-TRE-f6f5f473-82
0.427
MAR-TRE-3e4e6814-5
0.427
MAR-TRE-7f7bb9f0-71
0.425
MAR-TRE-3e4e6814-60
0.425
MAR-TRE-04c86cea-57
0.425
MAR-TRE-3e4e6814-26
0.418
MAR-TRE-f6f5f473-72
0.417
MAR-TRE-d0525fbf-89
0.417
MAR-TRE-04c86cea-25
0.413
MAR-TRE-3e4e6814-12
0.412
MAR-TRE-67513f76-62
0.411
MAR-TRE-3e4e6814-75
0.410
MAR-TRE-67513f76-15
0.409
MAR-TRE-4b834d9a-8
0.406
MAR-TRE-b77b7921-11
0.406
MAR-TRE-f6f5f473-88
0.406
MAR-TRE-67513f76-72
0.405
MAR-TRE-f6f5f473-45
0.404
MAR-TRE-f6f5f473-96
0.404
MAR-TRE-d0525fbf-43
0.402
MAR-TRE-4b834d9a-2
0.402
MAR-TRE-74c6519b-25
0.402