Molecular Properties | |
SMILES: | O=C(Cn1c(=O)n(C2CCCCC2)c2ncccc21)NCc1ccccc1 |
MW: | 364.19 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 68.92 |
cLogP: | 3.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-010-917-499 |
MAR-TRE-f6f5f473-88
0.800
MAR-TRE-f6f5f473-16
0.790
MAR-TRE-f6f5f473-62
0.762
MAR-TRE-f6f5f473-43
0.753
MAR-TRE-04c86cea-36
0.744
MAR-TRE-04c86cea-63
0.744
MAR-TRE-f6f5f473-96
0.741
MAR-TRE-f6f5f473-45
0.741
MAR-TRE-f6f5f473-72
0.741
MAR-TRE-04c86cea-56
0.726
MAR-TRE-04c86cea-20
0.700
MAR-TRE-f6f5f473-50
0.698
MAR-TRE-04c86cea-72
0.698
MAR-TRE-3e4e6814-33
0.690
MAR-TRE-f6f5f473-26
0.690
MAR-TRE-04c86cea-25
0.674
MAR-TRE-04c86cea-9
0.656
MAR-TRE-74c6519b-16
0.656
MAR-TRE-3e4e6814-19
0.615
MAR-TRE-04c86cea-89
0.596
MAR-TRE-f6f5f473-94
0.595
MAR-TRE-04c86cea-11
0.568
MAR-TRE-f6f5f473-55
0.556
MAR-TRE-3e4e6814-73
0.556
MAR-TRE-4b834d9a-23
0.543
MAR-TRE-3e4e6814-5
0.517
MAR-TRE-f6f5f473-34
0.505
MAR-TRE-04c86cea-6
0.505
MAR-TRE-3e4e6814-14
0.500
MAR-TRE-04c86cea-21
0.489
MAR-TRE-f6f5f473-20
0.489
MAR-TRE-04c86cea-52
0.489
MAR-TRE-f6f5f473-53
0.479
MAR-TRE-3e4e6814-12
0.479
MAR-TRE-74c6519b-27
0.474
MAR-TRE-04c86cea-60
0.469
MAR-TRE-3e4e6814-7
0.459
MAR-TRE-4b834d9a-60
0.457
MAR-TRE-74c6519b-30
0.444
MAR-TRE-b77b7921-46
0.440
MAR-TRE-d0525fbf-79
0.440
MAR-TRE-3e4e6814-21
0.440
MAR-TRE-74c6519b-39
0.439
MAR-TRE-67513f76-11
0.439
MAR-TRE-04c86cea-58
0.437
MAR-TRE-b77b7921-54
0.430
MAR-TRE-b77b7921-1
0.430
MAR-TRE-f6f5f473-17
0.430
MAR-TRE-4b834d9a-35
0.430
MAR-TRE-4b834d9a-52
0.430
MAR-TRE-f6f5f473-89
0.429
MAR-TRE-74c6519b-45
0.427
MAR-TRE-4b834d9a-69
0.426
MAR-TRE-b77b7921-59
0.424
MAR-TRE-04c86cea-80
0.424
MAR-TRE-d0525fbf-9
0.422
MAR-TRE-d0525fbf-37
0.422
MAR-TRE-3e4e6814-2
0.419
MAR-TRE-04c86cea-23
0.417
MAR-TRE-4b834d9a-36
0.417
MAR-TRE-d0525fbf-8
0.415
MAR-TRE-04c86cea-69
0.414
MAR-TRE-74c6519b-70
0.413
MAR-TRE-f6f5f473-22
0.413
MAR-TRE-74c6519b-73
0.411
MAR-TRE-04c86cea-45
0.410
MAR-TRE-f6f5f473-21
0.408
MAR-TRE-b77b7921-27
0.408
MAR-TRE-4b834d9a-39
0.406
MAR-TRE-d0525fbf-6
0.406
MAR-TRE-b77b7921-43
0.404
MAR-TRE-7f7bb9f0-3
0.400
MAR-TRE-f6f5f473-66
0.398
MAR-TRE-b77b7921-11
0.398
MAR-TRE-74c6519b-6
0.396
MAR-TRE-04c86cea-2
0.394
MAR-TRE-4b834d9a-2
0.394
MAR-TRE-b77b7921-7
0.393
MAR-TRE-b77b7921-5
0.393
MAR-TRE-74c6519b-92
0.392
MAR-TRE-9c797165-23
0.392
MAR-TRE-b77b7921-4
0.392
MAR-TRE-04c86cea-33
0.389
MAR-TRE-3e4e6814-18
0.388
MAR-TRE-7f7bb9f0-70
0.387
MAR-TRE-d0525fbf-68
0.385
MAR-TRE-4b834d9a-18
0.385
MAR-TRE-4b834d9a-5
0.385
MAR-TRE-3e4e6814-69
0.383
MAR-TRE-7f7bb9f0-22
0.381
MAR-TRE-74c6519b-25
0.380
MAR-TRE-74c6519b-77
0.380
MAR-TRE-b77b7921-48
0.380
MAR-TRE-4b834d9a-14
0.379
MAR-TRE-3e4e6814-60
0.377
MAR-TRE-67513f76-62
0.377
MAR-TRE-4b834d9a-25
0.376
MAR-TRE-b77b7921-8
0.376
MAR-TRE-d0525fbf-70
0.376
MAR-TRE-f6f5f473-68
0.375