Molecular Properties | |
SMILES: | CC[C@@H](NC(=O)Cn1c(=O)n(-c2ccc(F)cc2)c2ncccc21)c1ccc(OC)cc1 |
MW: | 434.18 |
Fraction sp3: | 0.21 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 78.15 |
cLogP: | 3.6 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-d0525fbf-37
0.624
MAR-TRE-04c86cea-57
0.617
MAR-TRE-9c797165-78
0.600
MAR-TRE-7f7bb9f0-78
0.598
MAR-TRE-b77b7921-98
0.596
MAR-TRE-7f7bb9f0-70
0.594
MAR-TRE-7f7bb9f0-73
0.590
MAR-TRE-d0525fbf-68
0.586
MAR-TRE-67513f76-23
0.582
MAR-TRE-d0525fbf-71
0.580
MAR-TRE-4b834d9a-60
0.571
MAR-TRE-d0525fbf-2
0.570
MAR-TRE-67513f76-11
0.564
MAR-TRE-7f7bb9f0-3
0.561
MAR-TRE-3e4e6814-75
0.560
MAR-TRE-d0525fbf-8
0.560
MAR-TRE-3e4e6814-73
0.553
MAR-TRE-74c6519b-30
0.552
MAR-TRE-d0525fbf-44
0.549
MAR-TRE-7f7bb9f0-1
0.549
MAR-TRE-b77b7921-59
0.547
MAR-TRE-9c797165-85
0.546
MAR-TRE-d0525fbf-70
0.545
MAR-TRE-4b834d9a-23
0.542
MAR-TRE-d0525fbf-3
0.540
MAR-TRE-4b834d9a-35
0.536
MAR-TRE-4b834d9a-76
0.531
MAR-TRE-d0525fbf-21
0.531
MAR-TRE-4b834d9a-69
0.531
MAR-TRE-3e4e6814-21
0.531
MAR-TRE-74c6519b-70
0.530
MAR-TRE-d0525fbf-12
0.530
MAR-TRE-9c797165-23
0.526
MAR-TRE-74c6519b-86
0.525
MAR-TRE-d0525fbf-9
0.525
MAR-TRE-f6f5f473-17
0.520
MAR-TRE-4b834d9a-54
0.520
MAR-TRE-7f7bb9f0-71
0.520
MAR-TRE-d0525fbf-6
0.520
MAR-TRE-3e4e6814-2
0.520
MAR-TRE-b77b7921-68
0.519
MAR-TRE-3e4e6814-69
0.511
MAR-TRE-7f7bb9f0-22
0.510
MAR-TRE-9c797165-100
0.510
MAR-TRE-3e4e6814-20
0.505
MAR-TRE-67513f76-62
0.505
MAR-TRE-74c6519b-72
0.500
MAR-TRE-7f7bb9f0-65
0.495
MAR-TRE-04c86cea-52
0.490
MAR-TRE-67513f76-15
0.486
MAR-TRE-67513f76-72
0.481
MAR-TRE-04c86cea-33
0.472
MAR-TRE-b77b7921-20
0.467
MAR-TRE-3e4e6814-18
0.464
MAR-TRE-04c86cea-70
0.462
MAR-TRE-b77b7921-100
0.460
MAR-TRE-f6f5f473-22
0.457
MAR-TRE-d0525fbf-79
0.456
MAR-TRE-74c6519b-39
0.455
MAR-TRE-04c86cea-58
0.453
MAR-TRE-74c6519b-77
0.449
MAR-TRE-3e4e6814-4
0.449
MAR-TRE-f6f5f473-55
0.446
MAR-TRE-b77b7921-27
0.438
MAR-TRE-f6f5f473-12
0.438
MAR-TRE-3e4e6814-86
0.437
MAR-TRE-04c86cea-11
0.435
MAR-TRE-b77b7921-48
0.435
MAR-TRE-04c86cea-60
0.429
MAR-TRE-f6f5f473-94
0.429
MAR-TRE-04c86cea-80
0.427
MAR-TRE-74c6519b-92
0.423
MAR-TRE-f6f5f473-53
0.422
MAR-TRE-b77b7921-43
0.421
MAR-TRE-4b834d9a-36
0.421
MAR-TRE-3e4e6814-25
0.421
MAR-TRE-f6f5f473-68
0.419
MAR-TRE-f6f5f473-34
0.417
MAR-TRE-74c6519b-45
0.417
MAR-TRE-04c86cea-45
0.413
MAR-TRE-3e4e6814-60
0.407
MAR-TRE-04c86cea-21
0.404
MAR-TRE-04c86cea-69
0.404
MAR-TRE-f6f5f473-20
0.404
MAR-TRE-3e4e6814-10
0.392
MAR-TRE-3e4e6814-26
0.389
MAR-TRE-4b834d9a-32
0.373
MAR-TRE-d0525fbf-31
0.372
MAR-TRE-4b834d9a-39
0.369
MAR-TRE-04c86cea-56
0.360
MAR-TRE-9c797165-36
0.357
MAR-TRE-4b834d9a-30
0.351
MAR-TRE-74c6519b-87
0.347
MAR-TRE-b77b7921-42
0.345
MAR-TRE-04c86cea-63
0.342
MAR-TRE-d0525fbf-15
0.339
MAR-TRE-3e4e6814-3
0.337
MAR-TRE-7f7bb9f0-39
0.333
MAR-TRE-3e4e6814-72
0.330
MAR-TRE-9c797165-25
0.330