Molecular Properties | |
SMILES: | O=C(Cn1c(=O)n(-c2ccc(F)cc2)c2ncccc21)NCc1ccc(F)cc1F |
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-3230156605 |
MolPort: | MolPort-028-859-050 |
MAR-TRE-b77b7921-20
0.852
MAR-TRE-b77b7921-27
0.838
MAR-TRE-d0525fbf-2
0.821
MAR-TRE-4b834d9a-54
0.768
MAR-TRE-7f7bb9f0-22
0.750
MAR-TRE-4b834d9a-69
0.698
MAR-TRE-4b834d9a-76
0.698
MAR-TRE-4b834d9a-60
0.695
MAR-TRE-74c6519b-86
0.690
MAR-TRE-7f7bb9f0-73
0.685
MAR-TRE-9c797165-23
0.674
MAR-TRE-d0525fbf-71
0.674
MAR-TRE-3e4e6814-73
0.671
MAR-TRE-4b834d9a-35
0.667
MAR-TRE-67513f76-11
0.663
MAR-TRE-7f7bb9f0-70
0.656
MAR-TRE-74c6519b-30
0.648
MAR-TRE-b77b7921-43
0.644
MAR-TRE-3e4e6814-4
0.641
MAR-TRE-9c797165-85
0.640
MAR-TRE-d0525fbf-44
0.638
MAR-TRE-74c6519b-70
0.637
MAR-TRE-f6f5f473-12
0.633
MAR-TRE-9c797165-78
0.628
MAR-TRE-4b834d9a-36
0.626
MAR-TRE-04c86cea-45
0.625
MAR-TRE-04c86cea-9
0.624
MAR-TRE-7f7bb9f0-1
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MAR-TRE-d0525fbf-70
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MAR-TRE-d0525fbf-3
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MAR-TRE-f6f5f473-17
0.611
MAR-TRE-d0525fbf-68
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MAR-TRE-7f7bb9f0-78
0.607
MAR-TRE-b77b7921-59
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MAR-TRE-d0525fbf-37
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MAR-TRE-04c86cea-52
0.596
MAR-TRE-3e4e6814-75
0.586
MAR-TRE-f6f5f473-22
0.585
MAR-TRE-7f7bb9f0-71
0.574
MAR-TRE-67513f76-62
0.574
MAR-TRE-67513f76-23
0.573
MAR-TRE-04c86cea-60
0.570
MAR-TRE-d0525fbf-8
0.567
MAR-TRE-d0525fbf-4
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MAR-TRE-f6f5f473-68
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MAR-TRE-04c86cea-70
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MAR-TRE-7f7bb9f0-3
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MAR-TRE-67513f76-15
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MAR-TRE-67513f76-72
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MAR-TRE-04c86cea-69
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MAR-TRE-d0525fbf-12
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MAR-TRE-74c6519b-92
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MAR-TRE-d0525fbf-89
0.531
MAR-TRE-f6f5f473-94
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MAR-TRE-f6f5f473-55
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MAR-TRE-74c6519b-77
0.525
MAR-TRE-74c6519b-39
0.521
MAR-TRE-04c86cea-80
0.521
MAR-TRE-7f7bb9f0-65
0.516
MAR-TRE-3e4e6814-86
0.516
MAR-TRE-4b834d9a-23
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MAR-TRE-d0525fbf-9
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MAR-TRE-9c797165-100
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MAR-TRE-3e4e6814-20
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MAR-TRE-04c86cea-21
0.511
MAR-TRE-d0525fbf-79
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MAR-TRE-3e4e6814-21
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MAR-TRE-b77b7921-48
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MAR-TRE-d0525fbf-6
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MAR-TRE-3e4e6814-2
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MAR-TRE-f6f5f473-20
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MAR-TRE-f6f5f473-34
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MAR-TRE-04c86cea-33
0.490
MAR-TRE-3e4e6814-18
0.484
MAR-TRE-74c6519b-45
0.475
MAR-TRE-04c86cea-58
0.471
MAR-TRE-f6f5f473-53
0.469
MAR-TRE-74c6519b-16
0.466
MAR-TRE-3e4e6814-19
0.461
MAR-TRE-f6f5f473-26
0.461
MAR-TRE-3e4e6814-25
0.451
MAR-TRE-3e4e6814-60
0.451
MAR-TRE-3e4e6814-69
0.451
MAR-TRE-4b834d9a-33
0.448
MAR-TRE-4b834d9a-99
0.438
MAR-TRE-04c86cea-63
0.436
MAR-TRE-3e4e6814-26
0.430
MAR-TRE-d0525fbf-7
0.425
MAR-TRE-b77b7921-100
0.420
MAR-TRE-d0525fbf-11
0.415
MAR-TRE-f6f5f473-45
0.415
MAR-TRE-7f7bb9f0-5
0.411
MAR-TRE-4b834d9a-25
0.410
MAR-TRE-04c86cea-57
0.410
MAR-TRE-04c86cea-72
0.410
MAR-TRE-7f7bb9f0-9
0.402
MAR-TRE-04c86cea-74
0.402
MAR-TRE-4b834d9a-2
0.400
MAR-TRE-4b834d9a-15
0.400
MAR-TRE-b77b7921-68
0.400