Molecular Properties | |
SMILES: | O=C(Cn1c(=O)n(-c2ccccc2)c2ncccc21)NCc1ccc(F)cc1F |
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-7343858222 |
MolPort: | MolPort-010-917-446 |
MAR-TRE-d0525fbf-21
0.838
MAR-TRE-b77b7921-20
0.798
MAR-TRE-b77b7921-43
0.774
MAR-TRE-d0525fbf-2
0.770
MAR-TRE-04c86cea-45
0.756
MAR-TRE-4b834d9a-36
0.753
MAR-TRE-04c86cea-60
0.690
MAR-TRE-04c86cea-52
0.682
MAR-TRE-04c86cea-69
0.663
MAR-TRE-4b834d9a-54
0.659
MAR-TRE-f6f5f473-94
0.651
MAR-TRE-74c6519b-77
0.634
MAR-TRE-7f7bb9f0-22
0.626
MAR-TRE-04c86cea-21
0.625
MAR-TRE-04c86cea-9
0.617
MAR-TRE-d0525fbf-79
0.615
MAR-TRE-f6f5f473-12
0.609
MAR-TRE-f6f5f473-20
0.607
MAR-TRE-3e4e6814-73
0.607
MAR-TRE-f6f5f473-34
0.607
MAR-TRE-3e4e6814-4
0.600
MAR-TRE-d0525fbf-44
0.598
MAR-TRE-4b834d9a-76
0.598
MAR-TRE-74c6519b-86
0.591
MAR-TRE-d0525fbf-3
0.589
MAR-TRE-7f7bb9f0-1
0.582
MAR-TRE-4b834d9a-69
0.581
MAR-TRE-3e4e6814-18
0.580
MAR-TRE-74c6519b-45
0.579
MAR-TRE-9c797165-23
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MAR-TRE-7f7bb9f0-73
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MAR-TRE-4b834d9a-60
0.573
MAR-TRE-04c86cea-58
0.573
MAR-TRE-d0525fbf-71
0.566
MAR-TRE-3e4e6814-69
0.565
MAR-TRE-f6f5f473-53
0.560
MAR-TRE-d0525fbf-4
0.557
MAR-TRE-4b834d9a-35
0.553
MAR-TRE-67513f76-11
0.548
MAR-TRE-7f7bb9f0-70
0.546
MAR-TRE-f6f5f473-22
0.546
MAR-TRE-f6f5f473-55
0.538
MAR-TRE-74c6519b-30
0.537
MAR-TRE-f6f5f473-17
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MAR-TRE-f6f5f473-68
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MAR-TRE-04c86cea-70
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MAR-TRE-9c797165-85
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MAR-TRE-74c6519b-70
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MAR-TRE-d0525fbf-8
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MAR-TRE-4b834d9a-23
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MAR-TRE-d0525fbf-37
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MAR-TRE-b77b7921-100
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MAR-TRE-9c797165-78
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MAR-TRE-7f7bb9f0-3
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MAR-TRE-d0525fbf-12
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MAR-TRE-d0525fbf-70
0.515
MAR-TRE-74c6519b-92
0.510
MAR-TRE-d0525fbf-68
0.510
MAR-TRE-b77b7921-59
0.500
MAR-TRE-7f7bb9f0-78
0.495
MAR-TRE-b77b7921-98
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MAR-TRE-04c86cea-80
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MAR-TRE-74c6519b-39
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MAR-TRE-67513f76-23
0.484
MAR-TRE-d0525fbf-9
0.480
MAR-TRE-3e4e6814-86
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MAR-TRE-3e4e6814-75
0.479
MAR-TRE-7f7bb9f0-71
0.475
MAR-TRE-67513f76-62
0.475
MAR-TRE-4b834d9a-32
0.473
MAR-TRE-74c6519b-72
0.471
MAR-TRE-f6f5f473-26
0.471
MAR-TRE-3e4e6814-21
0.470
MAR-TRE-d0525fbf-6
0.462
MAR-TRE-3e4e6814-2
0.462
MAR-TRE-b77b7921-48
0.462
MAR-TRE-74c6519b-16
0.462
MAR-TRE-4b834d9a-33
0.458
MAR-TRE-67513f76-15
0.457
MAR-TRE-04c86cea-33
0.457
MAR-TRE-3e4e6814-19
0.456
MAR-TRE-67513f76-72
0.453
MAR-TRE-4b834d9a-99
0.448
MAR-TRE-9c797165-100
0.439
MAR-TRE-d0525fbf-89
0.438
MAR-TRE-d0525fbf-7
0.421
MAR-TRE-3e4e6814-25
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MAR-TRE-3e4e6814-60
0.419
MAR-TRE-7f7bb9f0-65
0.418
MAR-TRE-3e4e6814-20
0.414
MAR-TRE-d0525fbf-11
0.411
MAR-TRE-f6f5f473-45
0.411
MAR-TRE-04c86cea-74
0.411
MAR-TRE-4b834d9a-15
0.410
MAR-TRE-f6f5f473-82
0.408
MAR-TRE-7f7bb9f0-5
0.407
MAR-TRE-04c86cea-25
0.407
MAR-TRE-4b834d9a-25
0.406
MAR-TRE-04c86cea-72
0.406
MAR-TRE-f6f5f473-50
0.406