Molecular Properties | |
SMILES: | Cc1ccc(-n2c(=O)n(CC(=O)NCc3ccc(C)o3)c3cccnc32)cc1 |
MW: | 376.15 |
Fraction sp3: | 0.19 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 82.06 |
cLogP: | 2.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-028-858-966 |
MAR-TRE-9c797165-85
0.823
MAR-TRE-74c6519b-92
0.775
MAR-TRE-f6f5f473-55
0.687
MAR-TRE-f6f5f473-68
0.682
MAR-TRE-04c86cea-80
0.679
MAR-TRE-74c6519b-39
0.679
MAR-TRE-f6f5f473-17
0.663
MAR-TRE-f6f5f473-12
0.648
MAR-TRE-04c86cea-70
0.640
MAR-TRE-3e4e6814-21
0.636
MAR-TRE-f6f5f473-22
0.633
MAR-TRE-04c86cea-33
0.630
MAR-TRE-b77b7921-20
0.626
MAR-TRE-74c6519b-30
0.625
MAR-TRE-3e4e6814-60
0.622
MAR-TRE-3e4e6814-4
0.620
MAR-TRE-b77b7921-48
0.620
MAR-TRE-9c797165-23
0.614
MAR-TRE-f6f5f473-34
0.609
MAR-TRE-3e4e6814-25
0.604
MAR-TRE-67513f76-2
0.595
MAR-TRE-67513f76-27
0.588
MAR-TRE-4b834d9a-23
0.560
MAR-TRE-74c6519b-86
0.559
MAR-TRE-4b834d9a-60
0.557
MAR-TRE-3e4e6814-26
0.557
MAR-TRE-04c86cea-57
0.553
MAR-TRE-3e4e6814-2
0.552
MAR-TRE-d0525fbf-12
0.547
MAR-TRE-74c6519b-70
0.547
MAR-TRE-d0525fbf-37
0.543
MAR-TRE-d0525fbf-9
0.543
MAR-TRE-f6f5f473-94
0.540
MAR-TRE-3e4e6814-73
0.538
MAR-TRE-67513f76-11
0.533
MAR-TRE-4b834d9a-76
0.532
MAR-TRE-7f7bb9f0-3
0.531
MAR-TRE-3e4e6814-10
0.528
MAR-TRE-d0525fbf-3
0.526
MAR-TRE-04c86cea-69
0.522
MAR-TRE-4b834d9a-54
0.521
MAR-TRE-4b834d9a-35
0.521
MAR-TRE-d0525fbf-6
0.520
MAR-TRE-9c797165-78
0.516
MAR-TRE-d0525fbf-21
0.516
MAR-TRE-4b834d9a-69
0.516
MAR-TRE-7f7bb9f0-70
0.515
MAR-TRE-d0525fbf-8
0.515
MAR-TRE-7f7bb9f0-22
0.510
MAR-TRE-d0525fbf-2
0.510
MAR-TRE-d0525fbf-68
0.510
MAR-TRE-04c86cea-21
0.505
MAR-TRE-04c86cea-52
0.505
MAR-TRE-f6f5f473-20
0.505
MAR-TRE-d0525fbf-44
0.505
MAR-TRE-b77b7921-68
0.505
MAR-TRE-d0525fbf-71
0.505
MAR-TRE-7f7bb9f0-1
0.505
MAR-TRE-d0525fbf-70
0.500
MAR-TRE-d0525fbf-79
0.500
MAR-TRE-04c86cea-45
0.500
MAR-TRE-b77b7921-59
0.500
MAR-TRE-7f7bb9f0-73
0.500
MAR-TRE-04c86cea-58
0.495
MAR-TRE-3e4e6814-18
0.495
MAR-TRE-7f7bb9f0-78
0.494
MAR-TRE-74c6519b-77
0.490
MAR-TRE-67513f76-62
0.490
MAR-TRE-74c6519b-45
0.485
MAR-TRE-04c86cea-60
0.485
MAR-TRE-b77b7921-27
0.480
MAR-TRE-f6f5f473-53
0.479
MAR-TRE-3e4e6814-69
0.477
MAR-TRE-4b834d9a-36
0.475
MAR-TRE-b77b7921-43
0.475
MAR-TRE-7f7bb9f0-71
0.475
MAR-TRE-67513f76-23
0.468
MAR-TRE-4b834d9a-30
0.465
MAR-TRE-3e4e6814-75
0.462
MAR-TRE-67513f76-15
0.456
MAR-TRE-f6f5f473-88
0.440
MAR-TRE-67513f76-72
0.438
MAR-TRE-d0525fbf-89
0.437
MAR-TRE-f6f5f473-43
0.434
MAR-TRE-7f7bb9f0-17
0.430
MAR-TRE-7f7bb9f0-85
0.430
MAR-TRE-b77b7921-100
0.429
MAR-TRE-b77b7921-98
0.426
MAR-TRE-74c6519b-73
0.426
MAR-TRE-3e4e6814-33
0.420
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-74c6519b-40
0.400
MAR-TRE-4b834d9a-32
0.396
MAR-TRE-74c6519b-72
0.389
MAR-TRE-04c86cea-73
0.385
MAR-TRE-f6f5f473-72
0.383
MAR-TRE-74c6519b-6
0.382