Molecular Properties | |
SMILES: | O=C(Cn1c(=O)n(-c2ccccc2)c2ncccc21)NCc1cc(F)ccc1F |
MW: | 394.12 |
Fraction sp3: | 0.1 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 68.92 |
cLogP: | 2.78 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6502453853 |
MolPort: | MolPort-010-917-419 |
MAR-TRE-7f7bb9f0-22
0.840
MAR-TRE-3e4e6814-4
0.800
MAR-TRE-7f7bb9f0-1
0.773
MAR-TRE-b77b7921-27
0.753
MAR-TRE-b77b7921-43
0.744
MAR-TRE-04c86cea-45
0.726
MAR-TRE-04c86cea-52
0.674
MAR-TRE-04c86cea-69
0.674
MAR-TRE-04c86cea-60
0.663
MAR-TRE-f6f5f473-94
0.643
MAR-TRE-04c86cea-21
0.636
MAR-TRE-4b834d9a-54
0.633
MAR-TRE-74c6519b-16
0.628
MAR-TRE-74c6519b-77
0.628
MAR-TRE-d0525fbf-21
0.626
MAR-TRE-3e4e6814-19
0.624
MAR-TRE-4b834d9a-76
0.609
MAR-TRE-b77b7921-20
0.600
MAR-TRE-f6f5f473-34
0.600
MAR-TRE-3e4e6814-73
0.600
MAR-TRE-f6f5f473-20
0.600
MAR-TRE-d0525fbf-79
0.591
MAR-TRE-74c6519b-45
0.589
MAR-TRE-f6f5f473-12
0.585
MAR-TRE-74c6519b-86
0.585
MAR-TRE-d0525fbf-2
0.582
MAR-TRE-d0525fbf-44
0.576
MAR-TRE-3e4e6814-18
0.573
MAR-TRE-f6f5f473-53
0.571
MAR-TRE-7f7bb9f0-73
0.570
MAR-TRE-9c797165-23
0.570
MAR-TRE-d0525fbf-3
0.567
MAR-TRE-04c86cea-58
0.567
MAR-TRE-4b834d9a-60
0.567
MAR-TRE-4b834d9a-35
0.564
MAR-TRE-7f7bb9f0-5
0.561
MAR-TRE-d0525fbf-71
0.560
MAR-TRE-67513f76-11
0.559
MAR-TRE-3e4e6814-69
0.558
MAR-TRE-4b834d9a-69
0.558
MAR-TRE-7f7bb9f0-9
0.551
MAR-TRE-04c86cea-70
0.546
MAR-TRE-74c6519b-70
0.541
MAR-TRE-f6f5f473-55
0.532
MAR-TRE-74c6519b-30
0.531
MAR-TRE-f6f5f473-17
0.531
MAR-TRE-f6f5f473-68
0.531
MAR-TRE-9c797165-85
0.526
MAR-TRE-7f7bb9f0-70
0.525
MAR-TRE-d0525fbf-12
0.525
MAR-TRE-f6f5f473-22
0.525
MAR-TRE-d0525fbf-70
0.525
MAR-TRE-4b834d9a-23
0.521
MAR-TRE-d0525fbf-37
0.520
MAR-TRE-9c797165-78
0.511
MAR-TRE-b77b7921-59
0.510
MAR-TRE-7f7bb9f0-3
0.510
MAR-TRE-d0525fbf-8
0.510
MAR-TRE-74c6519b-92
0.505
MAR-TRE-d0525fbf-68
0.505
MAR-TRE-b77b7921-100
0.500
MAR-TRE-74c6519b-39
0.495
MAR-TRE-d0525fbf-9
0.490
MAR-TRE-3e4e6814-75
0.489
MAR-TRE-7f7bb9f0-78
0.489
MAR-TRE-67513f76-62
0.485
MAR-TRE-74c6519b-72
0.481
MAR-TRE-b77b7921-98
0.480
MAR-TRE-04c86cea-80
0.480
MAR-TRE-67513f76-23
0.479
MAR-TRE-3e4e6814-86
0.475
MAR-TRE-04c86cea-9
0.471
MAR-TRE-d0525fbf-6
0.471
MAR-TRE-3e4e6814-2
0.471
MAR-TRE-b77b7921-48
0.471
MAR-TRE-7f7bb9f0-71
0.471
MAR-TRE-4b834d9a-32
0.468
MAR-TRE-f6f5f473-26
0.466
MAR-TRE-3e4e6814-21
0.465
MAR-TRE-67513f76-15
0.453
MAR-TRE-04c86cea-33
0.453
MAR-TRE-67513f76-72
0.449
MAR-TRE-9c797165-100
0.435
MAR-TRE-04c86cea-25
0.430
MAR-TRE-4b834d9a-99
0.429
MAR-TRE-3e4e6814-60
0.429
MAR-TRE-f6f5f473-50
0.429
MAR-TRE-4b834d9a-33
0.424
MAR-TRE-3e4e6814-20
0.424
MAR-TRE-d0525fbf-89
0.421
MAR-TRE-f6f5f473-82
0.417
MAR-TRE-3e4e6814-25
0.415
MAR-TRE-7f7bb9f0-65
0.414
MAR-TRE-04c86cea-63
0.413
MAR-TRE-d0525fbf-4
0.407
MAR-TRE-f6f5f473-45
0.407
MAR-TRE-d0525fbf-11
0.407
MAR-TRE-d0525fbf-7
0.404
MAR-TRE-04c86cea-72
0.402
MAR-TRE-3e4e6814-26
0.396