Molecular Properties | |
SMILES: | O=C(Cn1c(=O)n(-c2ccccc2)c2ncccc21)NCc1ccccc1Cl |
MW: | 392.1 |
Fraction sp3: | 0.1 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 68.92 |
cLogP: | 3.16 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4739817207 |
MolPort: | MolPort-010-917-456 |
MAR-TRE-4b834d9a-76
0.797
MAR-TRE-d0525fbf-12
0.768
MAR-TRE-b77b7921-43
0.756
MAR-TRE-04c86cea-45
0.738
MAR-TRE-f6f5f473-94
0.692
MAR-TRE-04c86cea-21
0.683
MAR-TRE-4b834d9a-36
0.674
MAR-TRE-b77b7921-27
0.663
MAR-TRE-74c6519b-77
0.652
MAR-TRE-f6f5f473-20
0.643
MAR-TRE-f6f5f473-34
0.643
MAR-TRE-04c86cea-52
0.643
MAR-TRE-3e4e6814-69
0.620
MAR-TRE-3e4e6814-18
0.614
MAR-TRE-d0525fbf-79
0.614
MAR-TRE-04c86cea-60
0.614
MAR-TRE-4b834d9a-95
0.602
MAR-TRE-4b834d9a-55
0.602
MAR-TRE-f6f5f473-68
0.602
MAR-TRE-4b834d9a-54
0.602
MAR-TRE-f6f5f473-50
0.600
MAR-TRE-74c6519b-45
0.593
MAR-TRE-f6f5f473-53
0.593
MAR-TRE-74c6519b-86
0.589
MAR-TRE-f6f5f473-12
0.589
MAR-TRE-04c86cea-58
0.587
MAR-TRE-04c86cea-70
0.582
MAR-TRE-d0525fbf-44
0.579
MAR-TRE-d0525fbf-3
0.570
MAR-TRE-f6f5f473-55
0.568
MAR-TRE-3e4e6814-73
0.568
MAR-TRE-4b834d9a-23
0.556
MAR-TRE-7f7bb9f0-22
0.554
MAR-TRE-b77b7921-100
0.551
MAR-TRE-d0525fbf-21
0.543
MAR-TRE-9c797165-23
0.538
MAR-TRE-74c6519b-92
0.538
MAR-TRE-4b834d9a-60
0.534
MAR-TRE-4b834d9a-35
0.533
MAR-TRE-3e4e6814-4
0.531
MAR-TRE-b77b7921-98
0.527
MAR-TRE-3e4e6814-86
0.522
MAR-TRE-d0525fbf-9
0.521
MAR-TRE-04c86cea-92
0.521
MAR-TRE-b77b7921-20
0.521
MAR-TRE-d0525fbf-71
0.515
MAR-TRE-7f7bb9f0-1
0.515
MAR-TRE-74c6519b-39
0.511
MAR-TRE-04c86cea-80
0.511
MAR-TRE-67513f76-11
0.511
MAR-TRE-9c797165-85
0.511
MAR-TRE-d0525fbf-2
0.505
MAR-TRE-4b834d9a-32
0.500
MAR-TRE-74c6519b-30
0.500
MAR-TRE-f6f5f473-17
0.500
MAR-TRE-d0525fbf-6
0.500
MAR-TRE-7f7bb9f0-73
0.495
MAR-TRE-74c6519b-20
0.495
MAR-TRE-74c6519b-72
0.495
MAR-TRE-3e4e6814-21
0.495
MAR-TRE-4b834d9a-69
0.495
MAR-TRE-d0525fbf-37
0.490
MAR-TRE-7f7bb9f0-3
0.480
MAR-TRE-74c6519b-4
0.480
MAR-TRE-74c6519b-70
0.480
MAR-TRE-f6f5f473-22
0.480
MAR-TRE-d0525fbf-29
0.480
MAR-TRE-7f7bb9f0-70
0.480
MAR-TRE-9c797165-78
0.478
MAR-TRE-3e4e6814-2
0.470
MAR-TRE-b77b7921-48
0.470
MAR-TRE-d0525fbf-8
0.465
MAR-TRE-d0525fbf-70
0.465
MAR-TRE-04c86cea-33
0.465
MAR-TRE-b77b7921-28
0.465
MAR-TRE-b77b7921-59
0.463
MAR-TRE-d0525fbf-68
0.461
MAR-TRE-7f7bb9f0-78
0.456
MAR-TRE-67513f76-62
0.455
MAR-TRE-3e4e6814-60
0.455
MAR-TRE-04c86cea-55
0.455
MAR-TRE-3e4e6814-90
0.453
MAR-TRE-67513f76-23
0.447
MAR-TRE-3e4e6814-75
0.441
MAR-TRE-74c6519b-78
0.441
MAR-TRE-7f7bb9f0-71
0.440
MAR-TRE-3e4e6814-25
0.440
MAR-TRE-4b834d9a-33
0.436
MAR-TRE-f6f5f473-26
0.436
MAR-TRE-d0525fbf-43
0.432
MAR-TRE-04c86cea-25
0.427
MAR-TRE-4b834d9a-99
0.426
MAR-TRE-67513f76-15
0.423
MAR-TRE-04c86cea-88
0.422
MAR-TRE-4b834d9a-8
0.421
MAR-TRE-67513f76-72
0.419
MAR-TRE-3e4e6814-26
0.419
MAR-TRE-f6f5f473-61
0.417
MAR-TRE-f6f5f473-82
0.414
MAR-TRE-3e4e6814-5
0.413