Molecular Properties | |
SMILES: | O=C(Cn1c(=O)n(-c2ccc(F)cc2)c2ncccc21)NCc1cc(F)ccc1F |
MW: | 412.11 |
Fraction sp3: | 0.1 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 68.92 |
cLogP: | 2.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7961627703 |
MolPort: | MolPort-028-859-017 |
MAR-TRE-3e4e6814-4
0.854
MAR-TRE-4b834d9a-36
0.840
MAR-TRE-7f7bb9f0-1
0.824
MAR-TRE-d0525fbf-21
0.750
MAR-TRE-4b834d9a-54
0.738
MAR-TRE-4b834d9a-76
0.709
MAR-TRE-4b834d9a-60
0.687
MAR-TRE-74c6519b-86
0.682
MAR-TRE-4b834d9a-35
0.678
MAR-TRE-7f7bb9f0-73
0.677
MAR-TRE-67513f76-11
0.674
MAR-TRE-4b834d9a-69
0.670
MAR-TRE-d0525fbf-71
0.667
MAR-TRE-9c797165-23
0.667
MAR-TRE-3e4e6814-73
0.663
MAR-TRE-74c6519b-70
0.648
MAR-TRE-b77b7921-20
0.641
MAR-TRE-74c6519b-30
0.640
MAR-TRE-74c6519b-16
0.634
MAR-TRE-9c797165-85
0.633
MAR-TRE-3e4e6814-19
0.630
MAR-TRE-7f7bb9f0-70
0.630
MAR-TRE-d0525fbf-70
0.628
MAR-TRE-b77b7921-27
0.626
MAR-TRE-d0525fbf-2
0.621
MAR-TRE-9c797165-78
0.621
MAR-TRE-b77b7921-43
0.620
MAR-TRE-b77b7921-59
0.618
MAR-TRE-d0525fbf-44
0.615
MAR-TRE-f6f5f473-12
0.609
MAR-TRE-f6f5f473-17
0.604
MAR-TRE-d0525fbf-68
0.604
MAR-TRE-7f7bb9f0-78
0.600
MAR-TRE-04c86cea-45
0.600
MAR-TRE-3e4e6814-75
0.598
MAR-TRE-d0525fbf-37
0.591
MAR-TRE-d0525fbf-3
0.589
MAR-TRE-04c86cea-52
0.589
MAR-TRE-67513f76-62
0.585
MAR-TRE-04c86cea-70
0.568
MAR-TRE-7f7bb9f0-71
0.568
MAR-TRE-7f7bb9f0-5
0.567
MAR-TRE-67513f76-23
0.567
MAR-TRE-f6f5f473-22
0.562
MAR-TRE-7f7bb9f0-9
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MAR-TRE-04c86cea-69
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MAR-TRE-f6f5f473-68
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MAR-TRE-04c86cea-60
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MAR-TRE-d0525fbf-12
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MAR-TRE-7f7bb9f0-3
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MAR-TRE-67513f76-15
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MAR-TRE-d0525fbf-8
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MAR-TRE-67513f76-72
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MAR-TRE-74c6519b-39
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MAR-TRE-74c6519b-92
0.526
MAR-TRE-d0525fbf-9
0.526
MAR-TRE-f6f5f473-94
0.522
MAR-TRE-3e4e6814-20
0.522
MAR-TRE-04c86cea-21
0.521
MAR-TRE-f6f5f473-55
0.521
MAR-TRE-74c6519b-77
0.520
MAR-TRE-04c86cea-80
0.516
MAR-TRE-7f7bb9f0-65
0.511
MAR-TRE-3e4e6814-86
0.510
MAR-TRE-4b834d9a-23
0.510
MAR-TRE-d0525fbf-89
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MAR-TRE-9c797165-100
0.510
MAR-TRE-d0525fbf-6
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MAR-TRE-3e4e6814-2
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MAR-TRE-b77b7921-48
0.505
MAR-TRE-3e4e6814-21
0.500
MAR-TRE-f6f5f473-20
0.490
MAR-TRE-f6f5f473-34
0.490
MAR-TRE-04c86cea-33
0.485
MAR-TRE-74c6519b-45
0.485
MAR-TRE-d0525fbf-79
0.485
MAR-TRE-f6f5f473-53
0.479
MAR-TRE-3e4e6814-18
0.479
MAR-TRE-04c86cea-9
0.476
MAR-TRE-04c86cea-58
0.466
MAR-TRE-3e4e6814-60
0.461
MAR-TRE-f6f5f473-26
0.456
MAR-TRE-3e4e6814-25
0.447
MAR-TRE-3e4e6814-69
0.446
MAR-TRE-04c86cea-63
0.446
MAR-TRE-3e4e6814-26
0.426
MAR-TRE-04c86cea-25
0.421
MAR-TRE-f6f5f473-50
0.419
MAR-TRE-4b834d9a-99
0.418
MAR-TRE-4b834d9a-33
0.414
MAR-TRE-d0525fbf-11
0.411
MAR-TRE-f6f5f473-45
0.411
MAR-TRE-d0525fbf-4
0.411
MAR-TRE-b77b7921-68
0.409
MAR-TRE-d0525fbf-7
0.407
MAR-TRE-04c86cea-57
0.406
MAR-TRE-04c86cea-72
0.406
MAR-TRE-b77b7921-100
0.402
MAR-TRE-f6f5f473-16
0.396
MAR-TRE-74c6519b-72
0.391