Molecular Properties | |
SMILES: | O=C(Cn1c(=O)n(-c2ccc(F)cc2)c2ncccc21)N1CCOCC1 |
MW: | 356.13 |
Fraction sp3: | 0.28 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 69.36 |
cLogP: | 1.19 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-3e4e6814-20
0.747
MAR-TRE-7f7bb9f0-71
0.628
MAR-TRE-3e4e6814-75
0.625
MAR-TRE-67513f76-15
0.600
MAR-TRE-7f7bb9f0-78
0.588
MAR-TRE-3e4e6814-10
0.585
MAR-TRE-4b834d9a-32
0.561
MAR-TRE-4b834d9a-60
0.560
MAR-TRE-67513f76-62
0.556
MAR-TRE-9c797165-78
0.553
MAR-TRE-67513f76-23
0.553
MAR-TRE-b77b7921-59
0.552
MAR-TRE-9c797165-23
0.545
MAR-TRE-9c797165-100
0.543
MAR-TRE-3e4e6814-73
0.540
MAR-TRE-67513f76-11
0.534
MAR-TRE-9c797165-85
0.533
MAR-TRE-4b834d9a-35
0.522
MAR-TRE-4b834d9a-54
0.522
MAR-TRE-74c6519b-30
0.522
MAR-TRE-d0525fbf-21
0.516
MAR-TRE-4b834d9a-69
0.516
MAR-TRE-4b834d9a-76
0.516
MAR-TRE-7f7bb9f0-22
0.511
MAR-TRE-74c6519b-86
0.511
MAR-TRE-4b834d9a-30
0.511
MAR-TRE-67513f76-72
0.510
MAR-TRE-7f7bb9f0-70
0.500
MAR-TRE-74c6519b-70
0.500
MAR-TRE-d0525fbf-89
0.495
MAR-TRE-7f7bb9f0-29
0.494
MAR-TRE-3e4e6814-25
0.489
MAR-TRE-f6f5f473-17
0.489
MAR-TRE-d0525fbf-70
0.485
MAR-TRE-d0525fbf-68
0.480
MAR-TRE-d0525fbf-37
0.479
MAR-TRE-d0525fbf-71
0.475
MAR-TRE-04c86cea-52
0.473
MAR-TRE-7f7bb9f0-73
0.470
MAR-TRE-b77b7921-20
0.434
MAR-TRE-d0525fbf-44
0.431
MAR-TRE-3e4e6814-4
0.430
MAR-TRE-3e4e6814-60
0.429
MAR-TRE-b77b7921-43
0.429
MAR-TRE-3e4e6814-69
0.425
MAR-TRE-7f7bb9f0-3
0.424
MAR-TRE-f6f5f473-22
0.424
MAR-TRE-d0525fbf-2
0.422
MAR-TRE-b77b7921-27
0.418
MAR-TRE-f6f5f473-12
0.418
MAR-TRE-7f7bb9f0-1
0.417
MAR-TRE-3e4e6814-86
0.417
MAR-TRE-74c6519b-92
0.417
MAR-TRE-f6f5f473-53
0.415
MAR-TRE-4b834d9a-36
0.414
MAR-TRE-3e4e6814-18
0.413
MAR-TRE-d0525fbf-8
0.412
MAR-TRE-f6f5f473-55
0.411
MAR-TRE-04c86cea-60
0.408
MAR-TRE-f6f5f473-94
0.407
MAR-TRE-04c86cea-45
0.406
MAR-TRE-04c86cea-80
0.406
MAR-TRE-74c6519b-39
0.406
MAR-TRE-d0525fbf-3
0.406
MAR-TRE-4b834d9a-23
0.402
MAR-TRE-04c86cea-70
0.400
MAR-TRE-f6f5f473-68
0.398
MAR-TRE-3e4e6814-26
0.394
MAR-TRE-3e4e6814-21
0.394
MAR-TRE-d0525fbf-9
0.390
MAR-TRE-04c86cea-57
0.386
MAR-TRE-d0525fbf-12
0.382
MAR-TRE-f6f5f473-20
0.381
MAR-TRE-b77b7921-100
0.381
MAR-TRE-04c86cea-21
0.381
MAR-TRE-04c86cea-69
0.381
MAR-TRE-f6f5f473-34
0.381
MAR-TRE-9c797165-61
0.379
MAR-TRE-9c797165-40
0.375
MAR-TRE-d0525fbf-6
0.375
MAR-TRE-3e4e6814-2
0.375
MAR-TRE-b77b7921-48
0.375
MAR-TRE-04c86cea-33
0.371
MAR-TRE-d0525fbf-79
0.366
MAR-TRE-b77b7921-98
0.366
MAR-TRE-b77b7921-68
0.364
MAR-TRE-b77b7921-69
0.360
MAR-TRE-04c86cea-63
0.356
MAR-TRE-74c6519b-45
0.356
MAR-TRE-04c86cea-58
0.352
MAR-TRE-74c6519b-36
0.350
MAR-TRE-74c6519b-77
0.349
DAV-UNK-d94803a2-1
0.349
MAR-TRE-74c6519b-72
0.346
MAR-TRE-d0525fbf-66
0.343
MAR-TRE-d0525fbf-88
0.340
MAR-TRE-3e4e6814-35
0.340
MAR-TRE-4b834d9a-51
0.333
MAR-TRE-74c6519b-16
0.324
MAR-TRE-04c86cea-9
0.324