Molecular Properties | |
SMILES: | COc1ccc(CNC(=O)Cn2c(=O)n(-c3ccc(C)cc3)c3ncccc32)cc1OC |
MW: | 432.18 |
Fraction sp3: | 0.21 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 87.38 |
cLogP: | 2.83 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8286759849 |
MolPort: | MolPort-028-858-962 |
MAR-TRE-d0525fbf-70
0.826
MAR-TRE-74c6519b-45
0.812
MAR-TRE-04c86cea-33
0.725
MAR-TRE-74c6519b-39
0.701
MAR-TRE-3e4e6814-21
0.697
MAR-TRE-f6f5f473-22
0.692
MAR-TRE-f6f5f473-55
0.690
MAR-TRE-f6f5f473-17
0.685
MAR-TRE-04c86cea-80
0.682
MAR-TRE-04c86cea-70
0.681
MAR-TRE-74c6519b-30
0.648
MAR-TRE-3e4e6814-2
0.642
MAR-TRE-f6f5f473-34
0.633
MAR-TRE-b77b7921-68
0.622
MAR-TRE-74c6519b-92
0.620
MAR-TRE-3e4e6814-86
0.620
MAR-TRE-f6f5f473-68
0.613
MAR-TRE-d0525fbf-6
0.608
MAR-TRE-3e4e6814-4
0.608
MAR-TRE-74c6519b-70
0.604
MAR-TRE-4b834d9a-23
0.602
MAR-TRE-d0525fbf-8
0.602
MAR-TRE-d0525fbf-9
0.600
MAR-TRE-d0525fbf-37
0.600
MAR-TRE-f6f5f473-12
0.600
MAR-TRE-b77b7921-20
0.598
MAR-TRE-d0525fbf-68
0.596
MAR-TRE-7f7bb9f0-3
0.588
MAR-TRE-7f7bb9f0-70
0.588
MAR-TRE-4b834d9a-60
0.582
MAR-TRE-04c86cea-58
0.582
MAR-TRE-4b834d9a-69
0.573
MAR-TRE-d0525fbf-79
0.573
MAR-TRE-3e4e6814-25
0.561
MAR-TRE-67513f76-11
0.558
MAR-TRE-7f7bb9f0-73
0.553
MAR-TRE-f6f5f473-94
0.549
MAR-TRE-3e4e6814-73
0.547
MAR-TRE-4b834d9a-35
0.546
MAR-TRE-3e4e6814-60
0.545
MAR-TRE-04c86cea-57
0.545
MAR-TRE-d0525fbf-71
0.544
MAR-TRE-04c86cea-60
0.541
MAR-TRE-3e4e6814-26
0.534
MAR-TRE-04c86cea-21
0.531
MAR-TRE-04c86cea-52
0.531
MAR-TRE-f6f5f473-20
0.531
MAR-TRE-74c6519b-77
0.529
MAR-TRE-7f7bb9f0-1
0.529
MAR-TRE-d0525fbf-12
0.525
MAR-TRE-d0525fbf-3
0.520
MAR-TRE-d0525fbf-2
0.519
MAR-TRE-d0525fbf-44
0.514
MAR-TRE-9c797165-78
0.510
MAR-TRE-9c797165-85
0.510
MAR-TRE-7f7bb9f0-22
0.505
MAR-TRE-74c6519b-86
0.505
MAR-TRE-74c6519b-72
0.495
MAR-TRE-d0525fbf-21
0.495
MAR-TRE-9c797165-23
0.490
MAR-TRE-3e4e6814-18
0.490
MAR-TRE-3e4e6814-10
0.490
MAR-TRE-4b834d9a-54
0.485
MAR-TRE-4b834d9a-76
0.480
MAR-TRE-4b834d9a-36
0.471
MAR-TRE-04c86cea-69
0.470
MAR-TRE-f6f5f473-88
0.466
MAR-TRE-b77b7921-59
0.465
MAR-TRE-04c86cea-45
0.465
MAR-TRE-b77b7921-27
0.462
MAR-TRE-f6f5f473-43
0.461
MAR-TRE-7f7bb9f0-78
0.458
MAR-TRE-b77b7921-43
0.457
MAR-TRE-74c6519b-73
0.454
MAR-TRE-f6f5f473-53
0.446
MAR-TRE-7f7bb9f0-71
0.443
MAR-TRE-3e4e6814-69
0.442
MAR-TRE-f6f5f473-66
0.440
MAR-TRE-67513f76-23
0.436
MAR-TRE-d0525fbf-89
0.435
MAR-TRE-f6f5f473-72
0.435
MAR-TRE-4b834d9a-30
0.435
MAR-TRE-04c86cea-12
0.431
MAR-TRE-3e4e6814-75
0.430
MAR-TRE-67513f76-62
0.430
MAR-TRE-04c86cea-20
0.429
MAR-TRE-67513f76-15
0.427
MAR-TRE-4b834d9a-3
0.427
MAR-TRE-b77b7921-11
0.426
MAR-TRE-b77b7921-98
0.425
MAR-TRE-67513f76-72
0.423
MAR-TRE-74c6519b-6
0.423
MAR-TRE-74c6519b-25
0.422
MAR-TRE-04c86cea-56
0.421
MAR-TRE-4b834d9a-39
0.420
MAR-TRE-b77b7921-2
0.411
MAR-TRE-04c86cea-73
0.411
MAR-TRE-74c6519b-5
0.407
MAR-TRE-d0525fbf-22
0.405
MAR-TRE-b77b7921-100
0.400