Molecular Properties | |
SMILES: | COc1ccc([C@@H](C)NC(=O)Cn2c(=O)n(-c3ccccc3)c3ncccc32)cc1 |
MW: | 402.17 |
Fraction sp3: | 0.17 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 78.15 |
cLogP: | 3.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-04c86cea-57
0.805
MAR-TRE-74c6519b-72
0.727
MAR-TRE-3e4e6814-69
0.692
MAR-TRE-b77b7921-100
0.671
MAR-TRE-04c86cea-11
0.606
MAR-TRE-d0525fbf-89
0.596
MAR-TRE-b77b7921-68
0.588
MAR-TRE-d0525fbf-79
0.587
MAR-TRE-3e4e6814-18
0.586
MAR-TRE-4b834d9a-23
0.582
MAR-TRE-04c86cea-58
0.579
MAR-TRE-74c6519b-77
0.573
MAR-TRE-f6f5f473-94
0.563
MAR-TRE-04c86cea-21
0.543
MAR-TRE-f6f5f473-34
0.543
MAR-TRE-d0525fbf-12
0.536
MAR-TRE-74c6519b-45
0.536
MAR-TRE-f6f5f473-53
0.533
MAR-TRE-d0525fbf-9
0.531
MAR-TRE-04c86cea-52
0.527
MAR-TRE-04c86cea-69
0.527
MAR-TRE-f6f5f473-20
0.527
MAR-TRE-3e4e6814-21
0.521
MAR-TRE-d0525fbf-37
0.515
MAR-TRE-d0525fbf-3
0.515
MAR-TRE-d0525fbf-6
0.510
MAR-TRE-3e4e6814-2
0.510
MAR-TRE-3e4e6814-1
0.506
MAR-TRE-04c86cea-45
0.505
MAR-TRE-04c86cea-60
0.505
MAR-TRE-7f7bb9f0-3
0.505
MAR-TRE-d0525fbf-8
0.505
MAR-TRE-3e4e6814-3
0.500
MAR-TRE-4b834d9a-32
0.495
MAR-TRE-d0525fbf-2
0.485
MAR-TRE-b77b7921-27
0.485
MAR-TRE-7f7bb9f0-1
0.481
MAR-TRE-d0525fbf-44
0.481
MAR-TRE-b77b7921-43
0.480
MAR-TRE-4b834d9a-36
0.480
MAR-TRE-f6f5f473-55
0.479
MAR-TRE-7f7bb9f0-78
0.467
MAR-TRE-3e4e6814-73
0.464
MAR-TRE-04c86cea-33
0.462
MAR-TRE-7f7bb9f0-70
0.461
MAR-TRE-3e4e6814-36
0.459
MAR-TRE-9c797165-78
0.458
MAR-TRE-67513f76-23
0.458
MAR-TRE-d0525fbf-68
0.457
MAR-TRE-d0525fbf-71
0.453
MAR-TRE-04c86cea-70
0.451
MAR-TRE-7f7bb9f0-73
0.449
MAR-TRE-4b834d9a-87
0.446
MAR-TRE-f6f5f473-40
0.446
MAR-TRE-74c6519b-39
0.444
MAR-TRE-3e4e6814-76
0.440
MAR-TRE-4b834d9a-60
0.433
MAR-TRE-67513f76-11
0.430
MAR-TRE-3e4e6814-86
0.426
MAR-TRE-74c6519b-92
0.426
MAR-TRE-b77b7921-48
0.425
MAR-TRE-3e4e6814-75
0.423
MAR-TRE-4b834d9a-35
0.422
MAR-TRE-f6f5f473-17
0.422
MAR-TRE-f6f5f473-68
0.422
MAR-TRE-74c6519b-30
0.422
MAR-TRE-d0525fbf-70
0.421
MAR-TRE-9c797165-85
0.417
MAR-TRE-4b834d9a-76
0.417
MAR-TRE-04c86cea-80
0.416
MAR-TRE-b77b7921-59
0.416
MAR-TRE-f6f5f473-12
0.413
MAR-TRE-74c6519b-86
0.413
MAR-TRE-9c797165-23
0.412
MAR-TRE-3e4e6814-60
0.410
MAR-TRE-3e4e6814-25
0.410
MAR-TRE-4b834d9a-54
0.408
MAR-TRE-74c6519b-70
0.406
MAR-TRE-f6f5f473-22
0.406
MAR-TRE-4b834d9a-69
0.404
MAR-TRE-7f7bb9f0-71
0.396
MAR-TRE-67513f76-62
0.396
MAR-TRE-9c797165-100
0.391
MAR-TRE-d0525fbf-21
0.390
MAR-TRE-b77b7921-20
0.389
MAR-TRE-7f7bb9f0-22
0.387
MAR-TRE-3e4e6814-4
0.385
MAR-TRE-4b834d9a-39
0.384
MAR-TRE-3e4e6814-10
0.380
MAR-TRE-3e4e6814-26
0.378
MAR-TRE-3e4e6814-20
0.376
MAR-TRE-04c86cea-56
0.374
MAR-TRE-67513f76-15
0.369
MAR-TRE-7f7bb9f0-65
0.366
MAR-TRE-67513f76-72
0.366
MAR-TRE-9c797165-36
0.358
MAR-TRE-3e4e6814-98
0.355
MAR-TRE-b77b7921-82
0.345
MAR-TRE-3e4e6814-72
0.343
MAR-TRE-3e4e6814-5
0.340