Molecular Properties | |
SMILES: | O=C(Cn1c(=O)n(C2CCCCC2)c2ncccc21)NCc1ccc(Cl)cc1 |
MW: | 398.15 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 68.92 |
cLogP: | 3.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5506459809 |
MolPort: | MolPort-028-859-112 |
MAR-TRE-04c86cea-36
0.947
MAR-TRE-f6f5f473-88
0.815
MAR-TRE-f6f5f473-82
0.790
MAR-TRE-f6f5f473-62
0.776
MAR-TRE-f6f5f473-43
0.768
MAR-TRE-04c86cea-63
0.759
MAR-TRE-f6f5f473-96
0.756
MAR-TRE-04c86cea-56
0.741
MAR-TRE-f6f5f473-45
0.697
MAR-TRE-f6f5f473-72
0.697
MAR-TRE-f6f5f473-50
0.693
MAR-TRE-74c6519b-16
0.670
MAR-TRE-f6f5f473-26
0.667
MAR-TRE-04c86cea-20
0.660
MAR-TRE-04c86cea-72
0.656
MAR-TRE-04c86cea-9
0.652
MAR-TRE-04c86cea-25
0.634
MAR-TRE-3e4e6814-19
0.630
MAR-TRE-3e4e6814-33
0.629
MAR-TRE-04c86cea-21
0.589
MAR-TRE-04c86cea-89
0.577
MAR-TRE-4b834d9a-35
0.570
MAR-TRE-04c86cea-11
0.567
MAR-TRE-d0525fbf-9
0.558
MAR-TRE-b77b7921-5
0.520
MAR-TRE-4b834d9a-5
0.515
MAR-TRE-4b834d9a-6
0.490
MAR-TRE-4b834d9a-13
0.490
MAR-TRE-4b834d9a-4
0.475
MAR-TRE-f6f5f473-34
0.474
MAR-TRE-4b834d9a-60
0.474
MAR-TRE-74c6519b-30
0.460
MAR-TRE-f6f5f473-20
0.459
MAR-TRE-04c86cea-52
0.459
MAR-TRE-f6f5f473-94
0.457
MAR-TRE-3e4e6814-21
0.455
MAR-TRE-b77b7921-54
0.447
MAR-TRE-f6f5f473-17
0.446
MAR-TRE-d0525fbf-37
0.437
MAR-TRE-3e4e6814-73
0.430
MAR-TRE-f6f5f473-55
0.430
MAR-TRE-f6f5f473-66
0.429
MAR-TRE-74c6519b-73
0.427
MAR-TRE-67513f76-11
0.426
MAR-TRE-74c6519b-39
0.426
MAR-TRE-4b834d9a-39
0.423
MAR-TRE-4b834d9a-23
0.422
MAR-TRE-d0525fbf-6
0.421
MAR-TRE-f6f5f473-53
0.420
MAR-TRE-b77b7921-59
0.412
MAR-TRE-b77b7921-7
0.407
MAR-TRE-04c86cea-73
0.400
MAR-TRE-4b834d9a-18
0.400
MAR-TRE-4b834d9a-69
0.400
MAR-TRE-04c86cea-60
0.400
MAR-TRE-04c86cea-80
0.398
MAR-TRE-74c6519b-6
0.398
MAR-TRE-7f7bb9f0-22
0.396
MAR-TRE-3e4e6814-2
0.394
MAR-TRE-b77b7921-4
0.394
MAR-TRE-04c86cea-6
0.393
MAR-TRE-4b834d9a-36
0.393
MAR-TRE-3e4e6814-5
0.392
MAR-TRE-b77b7921-8
0.391
MAR-TRE-d0525fbf-5
0.391
MAR-TRE-d0525fbf-8
0.391
MAR-TRE-7f7bb9f0-3
0.389
MAR-TRE-f6f5f473-22
0.389
MAR-TRE-74c6519b-45
0.389
MAR-TRE-74c6519b-70
0.389
MAR-TRE-04c86cea-69
0.388
MAR-TRE-d0525fbf-79
0.387
MAR-TRE-3e4e6814-14
0.385
MAR-TRE-7f7bb9f0-1
0.384
MAR-TRE-74c6519b-5
0.383
MAR-TRE-04c86cea-1
0.383
MAR-TRE-b77b7921-48
0.382
MAR-TRE-3e4e6814-4
0.382
MAR-TRE-4b834d9a-14
0.381
MAR-TRE-04c86cea-4
0.380
MAR-TRE-4b834d9a-22
0.380
MAR-TRE-b77b7921-43
0.380
MAR-TRE-d0525fbf-70
0.378
MAR-TRE-7f7bb9f0-70
0.376
MAR-TRE-d0525fbf-12
0.376
MAR-TRE-d0525fbf-21
0.374
MAR-TRE-4b834d9a-76
0.374
MAR-TRE-04c86cea-58
0.373
MAR-TRE-b77b7921-11
0.373
MAR-TRE-d0525fbf-44
0.372
MAR-TRE-04c86cea-45
0.371
MAR-TRE-b77b7921-27
0.370
MAR-TRE-f6f5f473-21
0.370
MAR-TRE-b77b7921-3
0.370
MAR-TRE-4b834d9a-2
0.369
MAR-TRE-d0525fbf-39
0.367
MAR-TRE-3e4e6814-60
0.367
MAR-TRE-67513f76-62
0.367
MAR-TRE-9c797165-97
0.367
MAR-TRE-4b834d9a-11
0.367