Molecular Properties | |
SMILES: | Cc1ccc(-n2c(=O)n(CC(=O)NCc3ccco3)c3cccnc32)cc1 |
MW: | 362.14 |
Fraction sp3: | 0.15 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 82.06 |
cLogP: | 2.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9934607894 |
MolPort: | MolPort-028-858-961 |
MAR-TRE-9c797165-23
0.797
MAR-TRE-3e4e6814-86
0.775
MAR-TRE-f6f5f473-55
0.728
MAR-TRE-f6f5f473-68
0.702
MAR-TRE-74c6519b-39
0.679
MAR-TRE-04c86cea-80
0.679
MAR-TRE-f6f5f473-12
0.667
MAR-TRE-f6f5f473-17
0.663
MAR-TRE-04c86cea-70
0.659
MAR-TRE-f6f5f473-22
0.652
MAR-TRE-b77b7921-20
0.644
MAR-TRE-3e4e6814-4
0.637
MAR-TRE-9c797165-85
0.636
MAR-TRE-04c86cea-33
0.630
MAR-TRE-f6f5f473-34
0.628
MAR-TRE-74c6519b-30
0.625
MAR-TRE-b77b7921-48
0.620
MAR-TRE-3e4e6814-21
0.618
MAR-TRE-3e4e6814-25
0.604
MAR-TRE-3e4e6814-60
0.604
MAR-TRE-7f7bb9f0-85
0.583
MAR-TRE-7f7bb9f0-17
0.583
MAR-TRE-4b834d9a-23
0.578
MAR-TRE-f6f5f473-94
0.576
MAR-TRE-74c6519b-86
0.576
MAR-TRE-3e4e6814-73
0.573
MAR-TRE-3e4e6814-26
0.573
MAR-TRE-74c6519b-70
0.564
MAR-TRE-3e4e6814-33
0.560
MAR-TRE-4b834d9a-60
0.557
MAR-TRE-3e4e6814-2
0.552
MAR-TRE-04c86cea-69
0.538
MAR-TRE-4b834d9a-54
0.538
MAR-TRE-04c86cea-57
0.537
MAR-TRE-d0525fbf-6
0.536
MAR-TRE-04c86cea-45
0.533
MAR-TRE-67513f76-11
0.533
MAR-TRE-4b834d9a-69
0.532
MAR-TRE-4b834d9a-76
0.532
MAR-TRE-d0525fbf-21
0.532
MAR-TRE-d0525fbf-12
0.531
MAR-TRE-74c6519b-40
0.531
MAR-TRE-3e4e6814-10
0.528
MAR-TRE-d0525fbf-9
0.526
MAR-TRE-7f7bb9f0-22
0.526
MAR-TRE-d0525fbf-37
0.526
MAR-TRE-d0525fbf-3
0.526
MAR-TRE-04c86cea-21
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MAR-TRE-04c86cea-52
0.522
MAR-TRE-f6f5f473-20
0.522
MAR-TRE-4b834d9a-35
0.521
MAR-TRE-9c797165-78
0.516
MAR-TRE-04c86cea-60
0.516
MAR-TRE-d0525fbf-79
0.516
MAR-TRE-7f7bb9f0-3
0.515
MAR-TRE-7f7bb9f0-70
0.515
MAR-TRE-d0525fbf-8
0.515
MAR-TRE-3e4e6814-18
0.511
MAR-TRE-b77b7921-27
0.510
MAR-TRE-04c86cea-58
0.510
MAR-TRE-d0525fbf-2
0.510
MAR-TRE-d0525fbf-68
0.510
MAR-TRE-4b834d9a-36
0.505
MAR-TRE-b77b7921-43
0.505
MAR-TRE-74c6519b-77
0.505
MAR-TRE-7f7bb9f0-1
0.505
MAR-TRE-d0525fbf-71
0.505
MAR-TRE-d0525fbf-44
0.505
MAR-TRE-b77b7921-68
0.505
MAR-TRE-7f7bb9f0-73
0.500
MAR-TRE-74c6519b-45
0.500
MAR-TRE-d0525fbf-70
0.500
MAR-TRE-7f7bb9f0-78
0.494
MAR-TRE-3e4e6814-69
0.494
MAR-TRE-b77b7921-59
0.484
MAR-TRE-f6f5f473-53
0.479
MAR-TRE-7f7bb9f0-71
0.475
MAR-TRE-67513f76-62
0.475
MAR-TRE-67513f76-23
0.468
MAR-TRE-4b834d9a-30
0.465
MAR-TRE-3e4e6814-75
0.462
MAR-TRE-4b834d9a-50
0.459
MAR-TRE-67513f76-15
0.456
MAR-TRE-67513f76-72
0.452
MAR-TRE-67513f76-27
0.452
MAR-TRE-d0525fbf-61
0.446
MAR-TRE-b77b7921-100
0.443
MAR-TRE-d0525fbf-60
0.441
MAR-TRE-67513f76-2
0.441
MAR-TRE-74c6519b-73
0.441
MAR-TRE-f6f5f473-88
0.440
MAR-TRE-f6f5f473-43
0.434
MAR-TRE-b77b7921-98
0.426
MAR-TRE-67513f76-18
0.426
MAR-TRE-d0525fbf-89
0.423
MAR-TRE-7f7bb9f0-65
0.417
MAR-TRE-f6f5f473-66
0.412
MAR-TRE-3e4e6814-20
0.412
MAR-TRE-9c797165-100
0.411
MAR-TRE-4b834d9a-32
0.411