Molecular Properties | |
SMILES: | O=C(Cn1c(=O)n(C2CCCC2)c2ncccc21)NCc1cc(F)ccc1F |
MW: | 386.16 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 68.92 |
cLogP: | 2.91 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8556552995 |
MAR-TRE-74c6519b-16
0.949
MAR-TRE-04c86cea-9
0.730
MAR-TRE-f6f5f473-26
0.727
MAR-TRE-04c86cea-63
0.701
MAR-TRE-04c86cea-72
0.678
MAR-TRE-04c86cea-36
0.663
MAR-TRE-f6f5f473-50
0.659
MAR-TRE-04c86cea-25
0.656
MAR-TRE-3e4e6814-33
0.652
MAR-TRE-f6f5f473-45
0.645
MAR-TRE-f6f5f473-43
0.633
MAR-TRE-7f7bb9f0-22
0.630
MAR-TRE-f6f5f473-16
0.630
MAR-TRE-4b834d9a-36
0.624
MAR-TRE-f6f5f473-82
0.615
MAR-TRE-04c86cea-56
0.613
MAR-TRE-f6f5f473-96
0.611
MAR-TRE-f6f5f473-72
0.611
MAR-TRE-3e4e6814-4
0.604
MAR-TRE-f6f5f473-88
0.602
MAR-TRE-f6f5f473-62
0.594
MAR-TRE-7f7bb9f0-1
0.586
MAR-TRE-04c86cea-20
0.564
MAR-TRE-7f7bb9f0-9
0.545
MAR-TRE-7f7bb9f0-5
0.540
MAR-TRE-04c86cea-89
0.520
MAR-TRE-04c86cea-11
0.481
MAR-TRE-4b834d9a-54
0.465
MAR-TRE-d0525fbf-21
0.461
MAR-TRE-b77b7921-27
0.456
MAR-TRE-b77b7921-43
0.452
MAR-TRE-04c86cea-45
0.446
MAR-TRE-b77b7921-20
0.443
MAR-TRE-7f7bb9f0-73
0.436
MAR-TRE-4b834d9a-76
0.433
MAR-TRE-d0525fbf-2
0.431
MAR-TRE-f6f5f473-12
0.429
MAR-TRE-d0525fbf-44
0.427
MAR-TRE-4b834d9a-99
0.424
MAR-TRE-b77b7921-59
0.417
MAR-TRE-d0525fbf-3
0.417
MAR-TRE-74c6519b-86
0.415
MAR-TRE-d0525fbf-71
0.414
MAR-TRE-4b834d9a-35
0.410
MAR-TRE-74c6519b-70
0.407
MAR-TRE-4b834d9a-60
0.406
MAR-TRE-4b834d9a-33
0.406
MAR-TRE-4b834d9a-69
0.406
MAR-TRE-67513f76-11
0.404
MAR-TRE-d0525fbf-11
0.404
MAR-TRE-9c797165-23
0.400
MAR-TRE-67513f76-62
0.398
MAR-TRE-74c6519b-30
0.396
MAR-TRE-3e4e6814-75
0.396
MAR-TRE-3e4e6814-73
0.394
MAR-TRE-04c86cea-52
0.394
MAR-TRE-04c86cea-69
0.394
MAR-TRE-04c86cea-60
0.393
MAR-TRE-d0525fbf-4
0.391
MAR-TRE-d0525fbf-7
0.387
MAR-TRE-04c86cea-70
0.385
MAR-TRE-d0525fbf-70
0.384
MAR-TRE-f6f5f473-17
0.383
MAR-TRE-9c797165-25
0.383
MAR-TRE-f6f5f473-22
0.382
MAR-TRE-7f7bb9f0-70
0.382
MAR-TRE-9c797165-85
0.380
MAR-TRE-4b834d9a-8
0.379
MAR-TRE-04c86cea-74
0.378
MAR-TRE-d0525fbf-37
0.376
MAR-TRE-4b834d9a-15
0.376
MAR-TRE-74c6519b-77
0.375
MAR-TRE-b77b7921-7
0.375
MAR-TRE-4b834d9a-2
0.375
MAR-TRE-b77b7921-19
0.374
MAR-TRE-4b834d9a-55
0.373
MAR-TRE-d0525fbf-8
0.372
MAR-TRE-f6f5f473-53
0.371
MAR-TRE-f6f5f473-68
0.370
MAR-TRE-d0525fbf-12
0.369
MAR-TRE-d0525fbf-38
0.369
MAR-TRE-7f7bb9f0-3
0.369
MAR-TRE-d0525fbf-68
0.368
MAR-TRE-d0525fbf-28
0.368
MAR-TRE-04c86cea-21
0.368
MAR-TRE-4b834d9a-18
0.367
MAR-TRE-4b834d9a-9
0.366
MAR-TRE-f6f5f473-94
0.363
MAR-TRE-d0525fbf-43
0.362
MAR-TRE-9c797165-78
0.362
MAR-TRE-d0525fbf-23
0.361
MAR-TRE-d0525fbf-39
0.360
MAR-TRE-7f7bb9f0-71
0.360
MAR-TRE-4b834d9a-95
0.359
MAR-TRE-4b834d9a-25
0.358
MAR-TRE-67513f76-72
0.357
MAR-TRE-f6f5f473-34
0.355
MAR-TRE-7f7bb9f0-78
0.353
MAR-TRE-b77b7921-11
0.352
MAR-TRE-74c6519b-39
0.352