Molecular Properties | |
SMILES: | CSc1ccc(CNC(=O)Cn2c(=O)n(C3CCCCC3)c3ncccc32)cc1 |
MW: | 410.18 |
Fraction sp3: | 0.41 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 68.92 |
cLogP: | 3.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6579888488 |
MolPort: | MolPort-028-859-126 |
MAR-TRE-f6f5f473-88
0.807
MAR-TRE-f6f5f473-16
0.776
MAR-TRE-f6f5f473-43
0.762
MAR-TRE-f6f5f473-82
0.762
MAR-TRE-04c86cea-63
0.753
MAR-TRE-04c86cea-56
0.736
MAR-TRE-04c86cea-36
0.733
MAR-TRE-f6f5f473-45
0.692
MAR-TRE-f6f5f473-72
0.692
MAR-TRE-f6f5f473-96
0.674
MAR-TRE-04c86cea-20
0.656
MAR-TRE-04c86cea-72
0.652
MAR-TRE-f6f5f473-26
0.645
MAR-TRE-f6f5f473-50
0.634
MAR-TRE-74c6519b-16
0.632
MAR-TRE-04c86cea-9
0.632
MAR-TRE-04c86cea-25
0.632
MAR-TRE-3e4e6814-33
0.609
MAR-TRE-3e4e6814-19
0.594
MAR-TRE-04c86cea-89
0.576
MAR-TRE-04c86cea-11
0.550
MAR-TRE-b77b7921-3
0.510
MAR-TRE-74c6519b-30
0.475
MAR-TRE-f6f5f473-34
0.475
MAR-TRE-4b834d9a-60
0.474
MAR-TRE-f6f5f473-17
0.461
MAR-TRE-04c86cea-52
0.460
MAR-TRE-3e4e6814-21
0.456
MAR-TRE-d0525fbf-37
0.452
MAR-TRE-b77b7921-54
0.448
MAR-TRE-4b834d9a-35
0.447
MAR-TRE-04c86cea-21
0.446
MAR-TRE-f6f5f473-20
0.446
MAR-TRE-f6f5f473-94
0.443
MAR-TRE-d0525fbf-9
0.438
MAR-TRE-f6f5f473-55
0.431
MAR-TRE-3e4e6814-73
0.431
MAR-TRE-74c6519b-73
0.429
MAR-TRE-4b834d9a-18
0.429
MAR-TRE-74c6519b-39
0.427
MAR-TRE-67513f76-11
0.427
MAR-TRE-4b834d9a-39
0.424
MAR-TRE-4b834d9a-23
0.423
MAR-TRE-b77b7921-7
0.422
MAR-TRE-f6f5f473-66
0.416
MAR-TRE-4b834d9a-5
0.415
MAR-TRE-b77b7921-59
0.413
MAR-TRE-b77b7921-5
0.409
MAR-TRE-f6f5f473-53
0.408
MAR-TRE-d0525fbf-8
0.405
MAR-TRE-f6f5f473-22
0.404
MAR-TRE-74c6519b-70
0.404
MAR-TRE-7f7bb9f0-3
0.404
MAR-TRE-04c86cea-73
0.402
MAR-TRE-04c86cea-60
0.402
MAR-TRE-4b834d9a-69
0.402
MAR-TRE-3e4e6814-14
0.400
MAR-TRE-74c6519b-6
0.400
MAR-TRE-04c86cea-80
0.400
MAR-TRE-3e4e6814-2
0.396
MAR-TRE-b77b7921-4
0.396
MAR-TRE-4b834d9a-14
0.396
MAR-TRE-04c86cea-6
0.394
MAR-TRE-3e4e6814-5
0.394
MAR-TRE-d0525fbf-70
0.393
MAR-TRE-74c6519b-45
0.391
MAR-TRE-7f7bb9f0-70
0.391
MAR-TRE-d0525fbf-79
0.389
MAR-TRE-74c6519b-5
0.385
MAR-TRE-4b834d9a-2
0.385
MAR-TRE-d0525fbf-6
0.384
MAR-TRE-b77b7921-48
0.384
MAR-TRE-4b834d9a-11
0.382
MAR-TRE-4b834d9a-6
0.380
MAR-TRE-d0525fbf-68
0.377
MAR-TRE-b77b7921-11
0.375
MAR-TRE-04c86cea-58
0.375
MAR-TRE-7f7bb9f0-1
0.374
MAR-TRE-04c86cea-1
0.373
MAR-TRE-7f7bb9f0-22
0.373
MAR-TRE-3e4e6814-4
0.372
MAR-TRE-04c86cea-4
0.369
MAR-TRE-7f7bb9f0-71
0.369
MAR-TRE-9c797165-97
0.369
MAR-TRE-67513f76-62
0.369
MAR-TRE-d0525fbf-39
0.369
MAR-TRE-4b834d9a-4
0.369
MAR-TRE-4b834d9a-36
0.369
MAR-TRE-3e4e6814-25
0.369
MAR-TRE-3e4e6814-60
0.369
MAR-TRE-04c86cea-33
0.368
MAR-TRE-4b834d9a-25
0.368
MAR-TRE-3e4e6814-12
0.368
MAR-TRE-4b834d9a-13
0.367
MAR-TRE-3e4e6814-75
0.365
MAR-TRE-d0525fbf-2
0.365
MAR-TRE-9c797165-85
0.364
MAR-TRE-d0525fbf-21
0.364
MAR-TRE-b77b7921-20
0.363
MAR-TRE-b77b7921-45
0.363