Molecular Properties | |
SMILES: | Cc1ccc(-n2c(=O)n(CC(=O)NCc3ccccc3)c3cccnc32)cc1 |
MW: | 372.16 |
Fraction sp3: | 0.14 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 68.92 |
cLogP: | 2.81 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4874754140 |
MolPort: | MolPort-028-858-929 |
MAR-TRE-f6f5f473-94
0.808
MAR-TRE-74c6519b-39
0.805
MAR-TRE-4b834d9a-23
0.795
MAR-TRE-3e4e6814-73
0.792
MAR-TRE-f6f5f473-34
0.792
MAR-TRE-f6f5f473-17
0.785
MAR-TRE-04c86cea-80
0.782
MAR-TRE-74c6519b-30
0.741
MAR-TRE-3e4e6814-21
0.732
MAR-TRE-74c6519b-92
0.728
MAR-TRE-f6f5f473-22
0.726
MAR-TRE-04c86cea-33
0.701
MAR-TRE-f6f5f473-68
0.699
MAR-TRE-b77b7921-48
0.690
MAR-TRE-3e4e6814-86
0.687
MAR-TRE-f6f5f473-12
0.682
MAR-TRE-04c86cea-70
0.674
MAR-TRE-4b834d9a-60
0.667
MAR-TRE-04c86cea-21
0.663
MAR-TRE-04c86cea-52
0.663
MAR-TRE-f6f5f473-20
0.663
MAR-TRE-b77b7921-20
0.640
MAR-TRE-3e4e6814-25
0.636
MAR-TRE-67513f76-11
0.635
MAR-TRE-3e4e6814-2
0.633
MAR-TRE-3e4e6814-4
0.633
MAR-TRE-74c6519b-70
0.629
MAR-TRE-d0525fbf-9
0.625
MAR-TRE-d0525fbf-37
0.625
MAR-TRE-4b834d9a-35
0.621
MAR-TRE-04c86cea-60
0.614
MAR-TRE-d0525fbf-79
0.614
MAR-TRE-04c86cea-58
0.604
MAR-TRE-3e4e6814-60
0.600
MAR-TRE-d0525fbf-6
0.598
MAR-TRE-4b834d9a-69
0.596
MAR-TRE-74c6519b-45
0.593
MAR-TRE-7f7bb9f0-3
0.593
MAR-TRE-d0525fbf-8
0.591
MAR-TRE-7f7bb9f0-70
0.576
MAR-TRE-9c797165-23
0.573
MAR-TRE-74c6519b-86
0.571
MAR-TRE-3e4e6814-26
0.568
MAR-TRE-d0525fbf-68
0.568
MAR-TRE-04c86cea-69
0.568
MAR-TRE-3e4e6814-5
0.566
MAR-TRE-04c86cea-57
0.565
MAR-TRE-04c86cea-45
0.562
MAR-TRE-9c797165-85
0.560
MAR-TRE-d0525fbf-12
0.559
MAR-TRE-3e4e6814-18
0.558
MAR-TRE-d0525fbf-70
0.558
MAR-TRE-f6f5f473-82
0.556
MAR-TRE-d0525fbf-3
0.553
MAR-TRE-4b834d9a-54
0.549
MAR-TRE-4b834d9a-76
0.543
MAR-TRE-3e4e6814-69
0.542
MAR-TRE-3e4e6814-10
0.540
MAR-TRE-b77b7921-27
0.538
MAR-TRE-b77b7921-43
0.532
MAR-TRE-4b834d9a-36
0.532
MAR-TRE-74c6519b-77
0.531
MAR-TRE-9c797165-78
0.528
MAR-TRE-3e4e6814-14
0.527
MAR-TRE-f6f5f473-88
0.527
MAR-TRE-d0525fbf-21
0.527
MAR-TRE-3e4e6814-12
0.522
MAR-TRE-f6f5f473-53
0.522
MAR-TRE-f6f5f473-43
0.522
MAR-TRE-7f7bb9f0-22
0.521
MAR-TRE-d0525fbf-2
0.520
MAR-TRE-74c6519b-73
0.517
MAR-TRE-b77b7921-68
0.515
MAR-TRE-d0525fbf-44
0.515
MAR-TRE-7f7bb9f0-1
0.515
MAR-TRE-7f7bb9f0-78
0.506
MAR-TRE-f6f5f473-66
0.500
MAR-TRE-7f7bb9f0-71
0.500
MAR-TRE-d0525fbf-71
0.500
MAR-TRE-7f7bb9f0-73
0.495
MAR-TRE-b77b7921-59
0.495
MAR-TRE-f6f5f473-21
0.490
MAR-TRE-04c86cea-6
0.485
MAR-TRE-3e4e6814-7
0.484
MAR-TRE-b77b7921-100
0.484
MAR-TRE-74c6519b-27
0.484
MAR-TRE-b77b7921-98
0.479
MAR-TRE-74c6519b-6
0.479
MAR-TRE-67513f76-23
0.478
MAR-TRE-4b834d9a-30
0.475
MAR-TRE-3e4e6814-75
0.473
MAR-TRE-67513f76-62
0.469
MAR-TRE-67513f76-15
0.465
MAR-TRE-b77b7921-46
0.464
MAR-TRE-04c86cea-73
0.464
MAR-TRE-4b834d9a-32
0.451
MAR-TRE-67513f76-72
0.447
MAR-TRE-b77b7921-45
0.446
MAR-TRE-f6f5f473-72
0.446
MAR-TRE-d0525fbf-89
0.446