Molecular Properties | |
SMILES: | O=C(Cn1c(=O)n(C2CCCCC2)c2ncccc21)NCc1cccc(Cl)c1 |
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-7592913292 |
MolPort: | MolPort-010-917-509 |
MAR-TRE-f6f5f473-45
0.791
MAR-TRE-f6f5f473-72
0.791
MAR-TRE-f6f5f473-16
0.756
MAR-TRE-04c86cea-20
0.747
MAR-TRE-04c86cea-72
0.747
MAR-TRE-f6f5f473-82
0.741
MAR-TRE-04c86cea-36
0.713
MAR-TRE-f6f5f473-88
0.705
MAR-TRE-f6f5f473-62
0.674
MAR-TRE-f6f5f473-50
0.670
MAR-TRE-f6f5f473-43
0.663
MAR-TRE-04c86cea-63
0.656
MAR-TRE-74c6519b-16
0.649
MAR-TRE-3e4e6814-33
0.644
MAR-TRE-04c86cea-56
0.641
MAR-TRE-04c86cea-9
0.632
MAR-TRE-f6f5f473-26
0.628
MAR-TRE-04c86cea-25
0.615
MAR-TRE-3e4e6814-19
0.611
MAR-TRE-04c86cea-89
0.576
MAR-TRE-d0525fbf-6
0.566
MAR-TRE-b77b7921-8
0.545
MAR-TRE-4b834d9a-22
0.535
MAR-TRE-04c86cea-11
0.535
MAR-TRE-4b834d9a-12
0.510
MAR-TRE-4b834d9a-10
0.495
MAR-TRE-4b834d9a-69
0.471
MAR-TRE-04c86cea-60
0.471
MAR-TRE-74c6519b-70
0.457
MAR-TRE-f6f5f473-22
0.457
MAR-TRE-3e4e6814-2
0.449
MAR-TRE-d0525fbf-8
0.444
MAR-TRE-b77b7921-11
0.444
MAR-TRE-4b834d9a-2
0.440
MAR-TRE-04c86cea-58
0.439
MAR-TRE-04c86cea-21
0.431
MAR-TRE-04c86cea-33
0.431
MAR-TRE-f6f5f473-94
0.429
MAR-TRE-d0525fbf-68
0.427
MAR-TRE-74c6519b-25
0.426
MAR-TRE-4b834d9a-25
0.422
MAR-TRE-4b834d9a-35
0.419
MAR-TRE-4b834d9a-3
0.417
MAR-TRE-b77b7921-10
0.412
MAR-TRE-d0525fbf-9
0.411
MAR-TRE-74c6519b-8
0.411
MAR-TRE-b77b7921-5
0.409
MAR-TRE-f6f5f473-53
0.408
MAR-TRE-4b834d9a-21
0.407
MAR-TRE-d0525fbf-5
0.405
MAR-TRE-f6f5f473-55
0.404
MAR-TRE-3e4e6814-73
0.404
MAR-TRE-f6f5f473-34
0.404
MAR-TRE-74c6519b-45
0.404
MAR-TRE-4b834d9a-60
0.402
MAR-TRE-b77b7921-59
0.400
MAR-TRE-04c86cea-80
0.400
MAR-TRE-b77b7921-48
0.396
MAR-TRE-d0525fbf-22
0.396
MAR-TRE-74c6519b-7
0.396
MAR-TRE-4b834d9a-23
0.396
MAR-TRE-04c86cea-6
0.394
MAR-TRE-d0525fbf-70
0.393
MAR-TRE-4b834d9a-20
0.393
MAR-TRE-74c6519b-30
0.393
MAR-TRE-04c86cea-52
0.390
MAR-TRE-f6f5f473-20
0.390
MAR-TRE-d0525fbf-79
0.389
MAR-TRE-4b834d9a-5
0.389
MAR-TRE-3e4e6814-21
0.389
MAR-TRE-b77b7921-2
0.389
MAR-TRE-74c6519b-39
0.387
MAR-TRE-67513f76-11
0.387
MAR-TRE-7f7bb9f0-22
0.385
MAT-POS-3b92565d-13
0.384
MAR-TRE-d0525fbf-39
0.382
MAR-TRE-4b834d9a-36
0.382
MAR-TRE-b77b7921-43
0.382
MAR-TRE-f6f5f473-17
0.380
MAR-TRE-7f7bb9f0-3
0.378
MAR-TRE-7f7bb9f0-70
0.378
MAR-TRE-f6f5f473-93
0.378
MAR-TRE-04c86cea-69
0.377
MAR-TRE-b77b7921-54
0.376
MAR-TRE-3e4e6814-14
0.374
TRY-UNI-1fd04853-5
0.374
MAR-TRE-d0525fbf-37
0.373
MAR-TRE-3e4e6814-4
0.372
MAR-TRE-b77b7921-7
0.372
MAR-TRE-9c797165-23
0.370
MAR-TRE-74c6519b-92
0.370
MAR-TRE-4b834d9a-6
0.367
MAR-TRE-4b834d9a-13
0.367
MAR-TRE-3e4e6814-5
0.366
MAR-TRE-f6f5f473-89
0.364
MAR-TRE-4b834d9a-76
0.364
MAR-TRE-d0525fbf-21
0.364
MAR-TRE-7f7bb9f0-1
0.362
MAR-TRE-d0525fbf-44
0.362
MAR-TRE-f6f5f473-66
0.362