Molecular Properties | |
SMILES: | Cc1ccc(CNC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)o1 |
MW: | 380.13 |
Fraction sp3: | 0.15 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 82.06 |
cLogP: | 2.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-028-859-074 |
MAR-TRE-3e4e6814-86
0.823
MAR-TRE-9c797165-23
0.756
MAR-TRE-4b834d9a-60
0.695
MAR-TRE-74c6519b-86
0.690
MAR-TRE-74c6519b-30
0.686
MAR-TRE-3e4e6814-73
0.671
MAR-TRE-67513f76-11
0.663
MAR-TRE-4b834d9a-76
0.659
MAR-TRE-74c6519b-70
0.656
MAR-TRE-4b834d9a-54
0.648
MAR-TRE-f6f5f473-17
0.648
MAR-TRE-4b834d9a-35
0.648
MAR-TRE-9c797165-78
0.647
MAR-TRE-d0525fbf-21
0.640
MAR-TRE-4b834d9a-69
0.640
MAR-TRE-7f7bb9f0-70
0.637
MAR-TRE-74c6519b-92
0.636
MAR-TRE-7f7bb9f0-22
0.633
MAR-TRE-d0525fbf-37
0.633
MAR-TRE-d0525fbf-68
0.628
MAR-TRE-7f7bb9f0-78
0.627
MAR-TRE-b77b7921-59
0.625
MAR-TRE-d0525fbf-71
0.621
MAR-TRE-d0525fbf-70
0.617
MAR-TRE-7f7bb9f0-73
0.615
MAR-TRE-67513f76-62
0.609
MAR-TRE-04c86cea-52
0.596
MAR-TRE-7f7bb9f0-71
0.591
MAR-TRE-67513f76-23
0.591
MAR-TRE-3e4e6814-75
0.586
MAR-TRE-67513f76-2
0.581
MAR-TRE-b77b7921-20
0.579
MAR-TRE-67513f76-27
0.575
MAR-TRE-3e4e6814-4
0.573
MAR-TRE-7f7bb9f0-3
0.568
MAR-TRE-f6f5f473-22
0.568
MAR-TRE-67513f76-15
0.567
MAR-TRE-f6f5f473-12
0.564
MAR-TRE-d0525fbf-2
0.561
MAR-TRE-f6f5f473-55
0.560
MAR-TRE-f6f5f473-68
0.559
MAR-TRE-d0525fbf-44
0.556
MAR-TRE-7f7bb9f0-1
0.556
MAR-TRE-74c6519b-39
0.554
MAR-TRE-04c86cea-80
0.554
MAR-TRE-3e4e6814-21
0.553
MAR-TRE-d0525fbf-8
0.551
MAR-TRE-4b834d9a-23
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MAR-TRE-d0525fbf-89
0.546
MAR-TRE-d0525fbf-3
0.546
MAR-TRE-67513f76-72
0.545
MAR-TRE-04c86cea-70
0.542
MAR-TRE-d0525fbf-12
0.536
MAR-TRE-7f7bb9f0-65
0.533
MAR-TRE-b77b7921-27
0.531
MAR-TRE-d0525fbf-9
0.531
MAR-TRE-f6f5f473-94
0.528
MAR-TRE-3e4e6814-20
0.527
MAR-TRE-f6f5f473-34
0.527
MAR-TRE-b77b7921-43
0.526
MAR-TRE-4b834d9a-36
0.526
MAR-TRE-3e4e6814-2
0.525
MAR-TRE-04c86cea-45
0.521
MAR-TRE-04c86cea-60
0.521
MAR-TRE-04c86cea-33
0.520
MAR-TRE-9c797165-100
0.515
MAR-TRE-04c86cea-69
0.511
MAR-TRE-3e4e6814-60
0.510
MAR-TRE-d0525fbf-6
0.510
MAR-TRE-b77b7921-48
0.510
MAR-TRE-3e4e6814-18
0.500
MAR-TRE-3e4e6814-25
0.495
MAR-TRE-f6f5f473-20
0.495
MAR-TRE-04c86cea-21
0.495
MAR-TRE-d0525fbf-79
0.490
MAR-TRE-04c86cea-58
0.485
MAR-TRE-f6f5f473-53
0.484
MAR-TRE-74c6519b-77
0.480
MAR-TRE-74c6519b-45
0.475
MAR-TRE-3e4e6814-69
0.467
MAR-TRE-3e4e6814-26
0.457
MAR-TRE-04c86cea-57
0.451
MAR-TRE-3e4e6814-10
0.423
MAR-TRE-04c86cea-63
0.422
MAR-TRE-7f7bb9f0-17
0.421
MAR-TRE-7f7bb9f0-85
0.421
MAR-TRE-b77b7921-100
0.420
MAR-TRE-b77b7921-98
0.417
MAR-TRE-b77b7921-68
0.413
MAR-TRE-3e4e6814-33
0.412
MAR-TRE-4b834d9a-18
0.404
MAR-TRE-04c86cea-73
0.404
MAR-TRE-4b834d9a-14
0.398
MAR-TRE-d0525fbf-60
0.393
MAR-TRE-4b834d9a-32
0.388
MAR-TRE-74c6519b-16
0.385
MAR-TRE-04c86cea-9
0.385
MAR-TRE-74c6519b-72
0.382
MAR-TRE-3e4e6814-19
0.380
MAR-TRE-f6f5f473-88
0.377