Molecular Properties | |
SMILES: | COc1ccccc1CNC(=O)Cn1c(=O)n(C2CCCCC2)c2ncccc21 |
MW: | 394.2 |
Fraction sp3: | 0.41 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 78.15 |
cLogP: | 3.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7854776465 |
MolPort: | MolPort-010-917-491 |
MAR-TRE-f6f5f473-50
0.739
MAR-TRE-f6f5f473-26
0.730
MAR-TRE-74c6519b-16
0.696
MAR-TRE-04c86cea-9
0.677
MAR-TRE-f6f5f473-82
0.674
MAR-TRE-f6f5f473-88
0.659
MAR-TRE-3e4e6814-19
0.656
MAR-TRE-04c86cea-56
0.652
MAR-TRE-04c86cea-20
0.649
MAR-TRE-f6f5f473-16
0.634
MAR-TRE-f6f5f473-72
0.632
MAR-TRE-f6f5f473-62
0.632
MAR-TRE-f6f5f473-43
0.620
MAR-TRE-3e4e6814-33
0.620
MAR-TRE-f6f5f473-45
0.615
MAR-TRE-f6f5f473-96
0.615
MAR-TRE-04c86cea-63
0.613
MAR-TRE-04c86cea-36
0.596
MAR-TRE-04c86cea-70
0.594
MAR-TRE-4b834d9a-8
0.582
MAR-TRE-04c86cea-72
0.577
MAR-TRE-04c86cea-11
0.576
MAR-TRE-04c86cea-89
0.570
MAR-TRE-d0525fbf-43
0.559
MAR-TRE-d0525fbf-38
0.540
MAR-TRE-b77b7921-19
0.538
MAR-TRE-04c86cea-12
0.515
MAR-TRE-7f7bb9f0-73
0.468
MAR-TRE-74c6519b-77
0.458
MAR-TRE-4b834d9a-70
0.456
MAR-TRE-d0525fbf-12
0.453
MAR-TRE-d0525fbf-3
0.449
MAR-TRE-d0525fbf-71
0.445
MAR-TRE-7f7bb9f0-1
0.445
MAR-TRE-9c797165-25
0.442
MAR-TRE-d0525fbf-28
0.441
MAR-TRE-74c6519b-86
0.434
MAR-TRE-f6f5f473-53
0.431
MAR-TRE-4b834d9a-36
0.430
MAR-TRE-f6f5f473-68
0.429
MAR-TRE-4b834d9a-54
0.429
MAR-TRE-04c86cea-69
0.427
MAR-TRE-4b834d9a-76
0.425
MAR-TRE-d0525fbf-2
0.423
MAR-TRE-b77b7921-59
0.423
MAR-TRE-04c86cea-45
0.423
MAR-TRE-7f7bb9f0-22
0.421
MAR-TRE-f6f5f473-12
0.421
MAR-TRE-d0525fbf-44
0.420
MAR-TRE-d0525fbf-23
0.419
MAR-TRE-3e4e6814-4
0.418
MAR-TRE-74c6519b-45
0.413
MAR-TRE-b77b7921-27
0.407
MAR-TRE-4b834d9a-55
0.406
MAR-TRE-4b834d9a-23
0.406
MAR-TRE-b77b7921-43
0.404
MAR-TRE-4b834d9a-99
0.402
MAR-TRE-d0525fbf-70
0.402
MAR-TRE-d0525fbf-21
0.398
MAR-TRE-d0525fbf-79
0.398
MAR-TRE-3e4e6814-21
0.398
MAR-TRE-b77b7921-20
0.396
MAR-TRE-d0525fbf-37
0.394
MAR-TRE-b77b7921-48
0.393
MAR-TRE-4b834d9a-95
0.392
MAR-TRE-74c6519b-78
0.388
MAR-TRE-7f7bb9f0-70
0.387
MAR-TRE-f6f5f473-34
0.387
MAR-TRE-4b834d9a-33
0.385
MAR-TRE-04c86cea-58
0.384
MAR-TRE-f6f5f473-94
0.382
MAR-TRE-d0525fbf-9
0.382
MAR-TRE-3e4e6814-2
0.381
MAR-TRE-3159af1a-52
0.378
MAR-TRE-9c797165-97
0.378
MAR-TRE-d0525fbf-8
0.377
MAR-TRE-74c6519b-30
0.376
MAR-TRE-3e4e6814-18
0.375
MAR-TRE-7f7bb9f0-3
0.375
MAR-TRE-d0525fbf-68
0.374
MAR-TRE-3e4e6814-73
0.374
MAR-TRE-04c86cea-52
0.374
MAR-TRE-f6f5f473-55
0.374
MAR-TRE-4b834d9a-60
0.371
MAR-TRE-67513f76-11
0.370
MAR-TRE-74c6519b-39
0.370
MAR-TRE-d0525fbf-6
0.368
MAR-TRE-9c797165-78
0.368
MAR-TRE-74c6519b-10
0.367
MAR-TRE-74c6519b-92
0.367
MAR-TRE-9c797165-23
0.367
MAR-TRE-3e4e6814-60
0.366
MAR-TRE-67513f76-62
0.366
MAR-TRE-4b834d9a-39
0.365
MAR-TRE-04c86cea-33
0.365
MAR-TRE-f6f5f473-17
0.364
MAR-TRE-74c6519b-70
0.363
MAR-TRE-3e4e6814-75
0.362
MAR-TRE-f6f5f473-20
0.361
MAR-TRE-04c86cea-21
0.361