Molecular Properties | |
SMILES: | O=C(Cn1c(=O)n(-c2ccc(F)cc2)c2ncccc21)NCc1ccccc1F |
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-5656456125 |
MolPort: | MolPort-028-859-049 |
MAR-TRE-f6f5f473-12
0.825
MAR-TRE-04c86cea-45
0.821
MAR-TRE-d0525fbf-3
0.795
MAR-TRE-d0525fbf-21
0.768
MAR-TRE-4b834d9a-76
0.768
MAR-TRE-74c6519b-86
0.759
MAR-TRE-7f7bb9f0-22
0.738
MAR-TRE-4b834d9a-60
0.704
MAR-TRE-3e4e6814-73
0.699
MAR-TRE-9c797165-23
0.682
MAR-TRE-4b834d9a-35
0.674
MAR-TRE-67513f76-11
0.671
MAR-TRE-b77b7921-27
0.659
MAR-TRE-7f7bb9f0-73
0.656
MAR-TRE-b77b7921-20
0.656
MAR-TRE-74c6519b-30
0.655
MAR-TRE-9c797165-78
0.655
MAR-TRE-9c797165-85
0.648
MAR-TRE-4b834d9a-69
0.648
MAR-TRE-d0525fbf-71
0.645
MAR-TRE-74c6519b-70
0.644
MAR-TRE-d0525fbf-2
0.634
MAR-TRE-4b834d9a-36
0.633
MAR-TRE-3e4e6814-4
0.630
MAR-TRE-7f7bb9f0-70
0.626
MAR-TRE-04c86cea-52
0.621
MAR-TRE-f6f5f473-17
0.618
MAR-TRE-f6f5f473-68
0.618
MAR-TRE-04c86cea-70
0.615
MAR-TRE-7f7bb9f0-78
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MAR-TRE-b77b7921-59
0.614
MAR-TRE-7f7bb9f0-1
0.611
MAR-TRE-d0525fbf-70
0.606
MAR-TRE-d0525fbf-37
0.604
MAR-TRE-04c86cea-69
0.602
MAR-TRE-d0525fbf-68
0.600
MAR-TRE-b77b7921-43
0.598
MAR-TRE-4b834d9a-99
0.593
MAR-TRE-3e4e6814-75
0.593
MAR-TRE-d0525fbf-12
0.591
MAR-TRE-f6f5f473-26
0.591
MAR-TRE-4b834d9a-33
0.586
MAR-TRE-67513f76-62
0.581
MAR-TRE-7f7bb9f0-71
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MAR-TRE-67513f76-23
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MAR-TRE-d0525fbf-44
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MAR-TRE-67513f76-15
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MAR-TRE-f6f5f473-94
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MAR-TRE-67513f76-72
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MAR-TRE-f6f5f473-55
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MAR-TRE-04c86cea-60
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MAR-TRE-f6f5f473-22
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MAR-TRE-7f7bb9f0-3
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MAR-TRE-4b834d9a-23
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MAR-TRE-74c6519b-92
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MAR-TRE-4b834d9a-15
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MAR-TRE-9c797165-100
0.535
MAR-TRE-04c86cea-21
0.533
MAR-TRE-74c6519b-39
0.527
MAR-TRE-04c86cea-80
0.527
MAR-TRE-d0525fbf-8
0.525
MAR-TRE-7f7bb9f0-65
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MAR-TRE-3e4e6814-18
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MAR-TRE-3e4e6814-86
0.521
MAR-TRE-d0525fbf-9
0.521
MAR-TRE-d0525fbf-89
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MAR-TRE-04c86cea-74
0.520
MAR-TRE-3e4e6814-20
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MAR-TRE-f6f5f473-20
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MAR-TRE-f6f5f473-34
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MAR-TRE-74c6519b-77
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MAR-TRE-3e4e6814-21
0.510
MAR-TRE-4b834d9a-9
0.505
MAR-TRE-3e4e6814-2
0.500
MAR-TRE-d0525fbf-79
0.495
MAR-TRE-f6f5f473-53
0.489
MAR-TRE-d0525fbf-6
0.485
MAR-TRE-b77b7921-48
0.485
MAR-TRE-04c86cea-33
0.480
MAR-TRE-74c6519b-45
0.480
MAR-TRE-04c86cea-58
0.475
MAR-TRE-3e4e6814-69
0.472
MAR-TRE-04c86cea-9
0.471
MAR-TRE-3e4e6814-19
0.465
MAR-TRE-74c6519b-16
0.456
MAR-TRE-3e4e6814-25
0.455
MAR-TRE-3e4e6814-60
0.455
MAR-TRE-04c86cea-63
0.440
MAR-TRE-3e4e6814-26
0.434
MAR-TRE-04c86cea-25
0.429
MAR-TRE-f6f5f473-50
0.427
MAR-TRE-b77b7921-100
0.424
MAR-TRE-4b834d9a-8
0.423
MAR-TRE-d0525fbf-4
0.419
MAR-TRE-d0525fbf-43
0.418
MAR-TRE-4b834d9a-55
0.417
MAR-TRE-4b834d9a-95
0.417
MAR-TRE-04c86cea-57
0.413
MAR-TRE-74c6519b-78
0.412
MAR-TRE-b77b7921-98
0.408