Molecular Properties | |
SMILES: | COc1cccc(CNC(=O)Cn2c(=O)n(-c3ccccc3)c3ncccc32)c1 |
MW: | 388.15 |
Fraction sp3: | 0.14 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 78.15 |
cLogP: | 2.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8564063322 |
MolPort: | MolPort-010-917-466 |
MAR-TRE-04c86cea-33
0.814
MAR-TRE-d0525fbf-68
0.805
MAR-TRE-d0525fbf-79
0.765
MAR-TRE-04c86cea-60
0.724
MAR-TRE-74c6519b-45
0.719
MAR-TRE-f6f5f473-94
0.707
MAR-TRE-4b834d9a-23
0.682
MAR-TRE-d0525fbf-6
0.667
MAR-TRE-74c6519b-77
0.667
MAR-TRE-3e4e6814-2
0.667
MAR-TRE-d0525fbf-8
0.660
MAR-TRE-f6f5f473-34
0.659
MAR-TRE-4b834d9a-3
0.640
MAR-TRE-04c86cea-21
0.640
MAR-TRE-04c86cea-52
0.640
MAR-TRE-f6f5f473-20
0.640
MAR-TRE-04c86cea-20
0.622
MAR-TRE-3e4e6814-18
0.614
MAR-TRE-7f7bb9f0-70
0.611
MAR-TRE-f6f5f473-55
0.604
MAR-TRE-4b834d9a-69
0.596
MAR-TRE-3e4e6814-21
0.596
MAR-TRE-f6f5f473-22
0.594
MAR-TRE-7f7bb9f0-3
0.594
MAR-TRE-74c6519b-70
0.594
MAR-TRE-d0525fbf-37
0.589
MAR-TRE-d0525fbf-9
0.589
MAR-TRE-3e4e6814-73
0.587
MAR-TRE-04c86cea-69
0.587
MAR-TRE-b77b7921-48
0.582
MAR-TRE-3e4e6814-69
0.581
MAR-TRE-04c86cea-45
0.581
MAR-TRE-b77b7921-98
0.579
MAR-TRE-d0525fbf-70
0.576
MAR-TRE-b77b7921-27
0.573
MAR-TRE-b77b7921-43
0.567
MAR-TRE-4b834d9a-36
0.567
MAR-TRE-d0525fbf-22
0.566
MAR-TRE-04c86cea-80
0.564
MAR-TRE-f6f5f473-53
0.559
MAR-TRE-d0525fbf-12
0.545
MAR-TRE-d0525fbf-3
0.540
MAR-TRE-4b834d9a-60
0.538
MAR-TRE-d0525fbf-71
0.534
MAR-TRE-b77b7921-10
0.533
MAR-TRE-74c6519b-39
0.531
MAR-TRE-74c6519b-72
0.529
MAR-TRE-7f7bb9f0-73
0.529
MAR-TRE-d0525fbf-2
0.524
MAR-TRE-b77b7921-100
0.521
MAR-TRE-74c6519b-30
0.520
MAR-TRE-f6f5f473-17
0.520
MAR-TRE-04c86cea-70
0.520
MAR-TRE-7f7bb9f0-1
0.519
MAR-TRE-d0525fbf-44
0.519
MAR-TRE-67513f76-11
0.515
MAR-TRE-74c6519b-92
0.510
MAR-TRE-4b834d9a-35
0.505
MAR-TRE-3e4e6814-86
0.495
MAR-TRE-9c797165-23
0.495
MAR-TRE-f6f5f473-68
0.490
MAR-TRE-4b834d9a-94
0.485
MAR-TRE-9c797165-85
0.485
MAR-TRE-9c797165-78
0.485
MAR-TRE-f6f5f473-12
0.480
MAR-TRE-74c6519b-86
0.480
MAR-TRE-4b834d9a-54
0.475
MAR-TRE-3e4e6814-72
0.475
MAR-TRE-4b834d9a-32
0.474
MAR-TRE-d0525fbf-21
0.471
MAR-TRE-4b834d9a-76
0.471
MAR-TRE-b77b7921-20
0.467
MAR-TRE-7f7bb9f0-22
0.466
MAR-TRE-3e4e6814-4
0.462
MAR-TRE-04c86cea-57
0.462
MAR-TRE-b77b7921-11
0.459
MAR-TRE-4b834d9a-2
0.455
MAR-TRE-4b834d9a-39
0.454
MAR-TRE-d0525fbf-89
0.453
MAR-TRE-f6f5f473-72
0.453
MAR-TRE-b77b7921-59
0.441
MAR-TRE-74c6519b-25
0.440
MAR-TRE-f6f5f473-45
0.439
MAR-TRE-f6f5f473-96
0.439
MAR-TRE-04c86cea-56
0.438
MAR-TRE-3e4e6814-5
0.438
MAR-TRE-f6f5f473-82
0.437
MAR-TRE-4b834d9a-25
0.436
MAR-TRE-3e4e6814-25
0.434
MAR-TRE-04c86cea-72
0.434
MAR-TRE-7f7bb9f0-78
0.433
MAR-TRE-67513f76-23
0.426
MAR-TRE-b77b7921-68
0.423
MAR-TRE-7f7bb9f0-71
0.421
MAR-TRE-3e4e6814-60
0.421
MAR-TRE-3e4e6814-26
0.414
MAR-TRE-3e4e6814-14
0.413
MAR-TRE-4b834d9a-10
0.413
MAR-TRE-4b834d9a-12
0.411
MAR-TRE-74c6519b-8
0.411