Molecular Properties | |
SMILES: | C[C@@H](NC(=O)Cn1c(=O)n(-c2ccccc2)c2ncccc21)c1ccccn1 |
MW: | 373.15 |
Fraction sp3: | 0.14 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 81.81 |
cLogP: | 2.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-3e4e6814-69
0.730
MAR-TRE-b77b7921-98
0.671
MAR-TRE-74c6519b-72
0.626
MAR-TRE-3e4e6814-18
0.576
MAR-TRE-f6f5f473-94
0.571
MAR-TRE-04c86cea-69
0.551
MAR-TRE-f6f5f473-34
0.551
MAR-TRE-f6f5f473-53
0.539
MAR-TRE-04c86cea-21
0.533
MAR-TRE-04c86cea-52
0.533
MAR-TRE-f6f5f473-20
0.533
MAR-TRE-04c86cea-57
0.532
MAR-TRE-04c86cea-45
0.527
MAR-TRE-04c86cea-60
0.527
MAR-TRE-d0525fbf-79
0.527
MAR-TRE-b77b7921-27
0.521
MAR-TRE-04c86cea-58
0.521
MAR-TRE-4b834d9a-32
0.517
MAR-TRE-74c6519b-45
0.510
MAR-TRE-74c6519b-77
0.500
MAR-TRE-b77b7921-43
0.500
MAR-TRE-b77b7921-68
0.500
MAR-TRE-4b834d9a-36
0.500
MAR-TRE-7f7bb9f0-78
0.489
MAR-TRE-f6f5f473-55
0.484
MAR-TRE-4b834d9a-23
0.474
MAR-TRE-3e4e6814-73
0.468
MAR-TRE-67513f76-23
0.462
MAR-TRE-d0525fbf-89
0.460
MAR-TRE-9c797165-78
0.447
MAR-TRE-3e4e6814-1
0.444
MAR-TRE-74c6519b-92
0.443
MAR-TRE-3e4e6814-75
0.441
MAR-TRE-3e4e6814-3
0.440
MAR-TRE-f6f5f473-68
0.439
MAR-TRE-4b834d9a-60
0.436
MAR-TRE-d0525fbf-12
0.436
MAR-TRE-4b834d9a-76
0.434
MAR-TRE-04c86cea-80
0.433
MAR-TRE-74c6519b-39
0.433
MAR-TRE-74c6519b-86
0.430
MAR-TRE-f6f5f473-12
0.430
MAR-TRE-9c797165-23
0.429
MAR-TRE-3e4e6814-86
0.429
MAR-TRE-04c86cea-70
0.426
MAR-TRE-74c6519b-30
0.424
MAR-TRE-f6f5f473-17
0.424
MAR-TRE-4b834d9a-54
0.424
MAR-TRE-f6f5f473-22
0.422
MAR-TRE-74c6519b-70
0.422
MAR-TRE-9c797165-85
0.420
MAR-TRE-d0525fbf-21
0.420
MAR-TRE-3e4e6814-21
0.420
MAR-TRE-4b834d9a-69
0.420
MAR-TRE-b77b7921-59
0.418
MAR-TRE-67513f76-11
0.418
MAR-TRE-d0525fbf-3
0.417
MAR-TRE-b77b7921-20
0.417
MAR-TRE-d0525fbf-9
0.416
MAR-TRE-d0525fbf-37
0.416
MAR-TRE-d0525fbf-6
0.413
MAR-TRE-3e4e6814-2
0.413
MAR-TRE-3e4e6814-25
0.412
MAR-TRE-3e4e6814-60
0.412
MAR-TRE-4b834d9a-35
0.410
MAR-TRE-d0525fbf-8
0.410
MAR-TRE-04c86cea-33
0.410
MAR-TRE-7f7bb9f0-3
0.408
MAR-TRE-7f7bb9f0-70
0.408
MAR-TRE-d0525fbf-2
0.406
MAR-TRE-d0525fbf-68
0.406
MAR-TRE-3e4e6814-36
0.404
MAR-TRE-7f7bb9f0-22
0.402
MAR-TRE-b77b7921-48
0.400
MAR-TRE-3e4e6814-4
0.400
MAR-TRE-3e4e6814-76
0.400
MAR-TRE-7f7bb9f0-71
0.398
MAR-TRE-67513f76-62
0.398
MAR-TRE-d0525fbf-70
0.396
MAR-TRE-3e4e6814-10
0.396
MAR-TRE-9c797165-100
0.393
MAR-TRE-3e4e6814-26
0.393
MAR-TRE-4b834d9a-87
0.392
MAR-TRE-f6f5f473-40
0.392
MAR-TRE-3e4e6814-20
0.392
MAR-TRE-7f7bb9f0-1
0.389
MAR-TRE-d0525fbf-44
0.389
MAR-TRE-d0525fbf-71
0.389
MAR-TRE-04c86cea-11
0.387
MAR-TRE-7f7bb9f0-73
0.385
MAR-TRE-67513f76-15
0.383
MAR-TRE-7f7bb9f0-65
0.381
MAR-TRE-67513f76-72
0.380
MAR-TRE-9c797165-36
0.374
MAR-TRE-3159af1a-22
0.363
MAR-TRE-4b834d9a-30
0.352
MAR-TRE-7f7bb9f0-57
0.350
MAR-TRE-9c797165-18
0.341
MAR-TRE-3e4e6814-5
0.340
MAR-TRE-9c797165-89
0.340