Molecular Properties | |
SMILES: | Cc1ccc(-n2c(=O)n(CC(=O)NCc3cccc(F)c3)c3cccnc32)cc1 |
MW: | 390.15 |
Fraction sp3: | 0.14 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 68.92 |
cLogP: | 2.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3129056599 |
MolPort: | MolPort-028-858-911 |
MAR-TRE-4b834d9a-69
0.840
MAR-TRE-d0525fbf-8
0.802
MAR-TRE-04c86cea-60
0.795
MAR-TRE-04c86cea-33
0.742
MAR-TRE-f6f5f473-17
0.741
MAR-TRE-74c6519b-70
0.727
MAR-TRE-f6f5f473-55
0.726
MAR-TRE-04c86cea-80
0.718
MAR-TRE-74c6519b-30
0.701
MAR-TRE-b77b7921-20
0.700
MAR-TRE-74c6519b-39
0.698
MAR-TRE-b77b7921-48
0.692
MAR-TRE-3e4e6814-4
0.674
MAR-TRE-d0525fbf-68
0.660
MAR-TRE-3e4e6814-2
0.656
MAR-TRE-74c6519b-92
0.652
MAR-TRE-f6f5f473-12
0.648
MAR-TRE-3e4e6814-21
0.637
MAR-TRE-3e4e6814-86
0.633
MAR-TRE-4b834d9a-60
0.632
MAR-TRE-3e4e6814-73
0.629
MAR-TRE-f6f5f473-34
0.629
MAR-TRE-f6f5f473-68
0.626
MAR-TRE-d0525fbf-6
0.621
MAR-TRE-7f7bb9f0-3
0.617
MAR-TRE-d0525fbf-70
0.615
MAR-TRE-4b834d9a-2
0.607
MAR-TRE-04c86cea-70
0.606
MAR-TRE-67513f76-11
0.604
MAR-TRE-7f7bb9f0-70
0.600
MAR-TRE-4b834d9a-25
0.600
MAR-TRE-d0525fbf-37
0.596
MAR-TRE-04c86cea-58
0.594
MAR-TRE-f6f5f473-45
0.594
MAR-TRE-4b834d9a-35
0.591
MAR-TRE-04c86cea-72
0.589
MAR-TRE-d0525fbf-21
0.585
MAR-TRE-4b834d9a-23
0.581
MAR-TRE-f6f5f473-94
0.580
MAR-TRE-04c86cea-52
0.576
MAR-TRE-3e4e6814-25
0.573
MAR-TRE-9c797165-85
0.568
MAR-TRE-9c797165-23
0.564
MAR-TRE-7f7bb9f0-22
0.562
MAR-TRE-74c6519b-86
0.562
MAR-TRE-3e4e6814-26
0.560
MAR-TRE-d0525fbf-2
0.560
MAR-TRE-4b834d9a-21
0.557
MAR-TRE-3e4e6814-60
0.557
MAR-TRE-d0525fbf-44
0.554
MAR-TRE-74c6519b-45
0.551
MAR-TRE-d0525fbf-9
0.546
MAR-TRE-b77b7921-27
0.546
MAR-TRE-4b834d9a-54
0.542
MAR-TRE-b77b7921-43
0.541
MAR-TRE-7f7bb9f0-1
0.539
MAR-TRE-9c797165-78
0.538
MAR-TRE-d0525fbf-79
0.536
MAR-TRE-4b834d9a-76
0.536
MAR-TRE-7f7bb9f0-73
0.534
MAR-TRE-04c86cea-21
0.526
MAR-TRE-f6f5f473-20
0.526
MAR-TRE-4b834d9a-36
0.525
MAR-TRE-04c86cea-57
0.525
MAR-TRE-d0525fbf-71
0.524
MAR-TRE-4b834d9a-20
0.520
MAR-TRE-7f7bb9f0-78
0.516
MAR-TRE-d0525fbf-3
0.515
MAR-TRE-b77b7921-68
0.510
MAR-TRE-b77b7921-59
0.505
MAR-TRE-04c86cea-45
0.505
MAR-TRE-3e4e6814-10
0.500
MAR-TRE-f6f5f473-72
0.500
MAR-TRE-7f7bb9f0-71
0.495
MAR-TRE-d0525fbf-12
0.490
MAR-TRE-67513f76-23
0.490
MAR-TRE-67513f76-72
0.486
MAR-TRE-3e4e6814-75
0.484
MAR-TRE-67513f76-62
0.480
MAR-TRE-04c86cea-69
0.480
MAR-TRE-b77b7921-11
0.479
MAR-TRE-67513f76-15
0.476
MAR-TRE-f6f5f473-88
0.475
MAR-TRE-74c6519b-25
0.474
MAR-TRE-f6f5f473-43
0.470
MAR-TRE-3e4e6814-18
0.469
MAR-TRE-3e4e6814-69
0.467
MAR-TRE-74c6519b-77
0.467
MAR-TRE-d0525fbf-89
0.457
MAR-TRE-f6f5f473-96
0.457
MAR-TRE-04c86cea-20
0.450
MAR-TRE-74c6519b-73
0.448
MAR-TRE-04c86cea-73
0.447
MAR-TRE-4b834d9a-30
0.443
MAR-TRE-74c6519b-8
0.442
MAR-TRE-f6f5f473-53
0.440
MAR-TRE-4b834d9a-3
0.436
MAR-TRE-3e4e6814-20
0.434
MAR-TRE-f6f5f473-66
0.434
MAR-TRE-9c797165-100
0.431