Molecular Properties | |
SMILES: | COc1ccc(-n2c(=O)n(CC(=O)NCc3cc(F)cc(F)c3)c3cccnc32)cc1 |
MW: | 424.13 |
Fraction sp3: | 0.14 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 78.15 |
cLogP: | 2.79 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6130282663 |
MolPort: | MolPort-028-858-998 |
MAR-TRE-d0525fbf-37
0.786
MAR-TRE-d0525fbf-8
0.782
MAR-TRE-4b834d9a-23
0.750
MAR-TRE-3e4e6814-21
0.733
MAR-TRE-7f7bb9f0-70
0.727
MAR-TRE-d0525fbf-9
0.724
MAR-TRE-d0525fbf-6
0.711
MAR-TRE-3e4e6814-2
0.711
MAR-TRE-d0525fbf-2
0.696
MAR-TRE-7f7bb9f0-1
0.688
MAR-TRE-d0525fbf-44
0.688
MAR-TRE-d0525fbf-3
0.681
MAR-TRE-d0525fbf-68
0.660
MAR-TRE-d0525fbf-79
0.656
MAR-TRE-d0525fbf-12
0.652
MAR-TRE-4b834d9a-60
0.651
MAR-TRE-d0525fbf-70
0.632
MAR-TRE-3e4e6814-73
0.629
MAR-TRE-74c6519b-30
0.626
MAR-TRE-f6f5f473-17
0.626
MAR-TRE-67513f76-11
0.622
MAR-TRE-4b834d9a-69
0.620
MAR-TRE-d0525fbf-71
0.619
MAR-TRE-f6f5f473-22
0.617
MAR-TRE-04c86cea-33
0.615
MAR-TRE-7f7bb9f0-73
0.612
MAR-TRE-4b834d9a-35
0.609
MAR-TRE-74c6519b-70
0.600
MAR-TRE-04c86cea-58
0.594
MAR-TRE-04c86cea-52
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MAR-TRE-f6f5f473-55
0.593
MAR-TRE-b77b7921-48
0.588
MAR-TRE-74c6519b-39
0.587
MAR-TRE-04c86cea-60
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MAR-TRE-f6f5f473-94
0.580
MAR-TRE-9c797165-78
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MAR-TRE-04c86cea-80
0.570
MAR-TRE-9c797165-85
0.568
MAR-TRE-74c6519b-45
0.567
MAR-TRE-d0525fbf-89
0.561
MAR-TRE-f6f5f473-34
0.559
MAR-TRE-74c6519b-77
0.556
MAR-TRE-d0525fbf-21
0.552
MAR-TRE-9c797165-23
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MAR-TRE-7f7bb9f0-22
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MAR-TRE-74c6519b-86
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MAR-TRE-b77b7921-20
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MAR-TRE-f6f5f473-20
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MAR-TRE-04c86cea-21
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MAR-TRE-4b834d9a-54
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MAR-TRE-7f7bb9f0-71
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MAR-TRE-04c86cea-70
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MAR-TRE-3e4e6814-4
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MAR-TRE-4b834d9a-76
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MAR-TRE-3e4e6814-86
0.531
MAR-TRE-f6f5f473-12
0.531
MAR-TRE-04c86cea-57
0.525
MAR-TRE-b77b7921-59
0.521
MAR-TRE-7f7bb9f0-78
0.516
MAR-TRE-74c6519b-92
0.515
MAR-TRE-b77b7921-27
0.515
MAR-TRE-f6f5f473-68
0.510
MAR-TRE-b77b7921-43
0.510
MAR-TRE-4b834d9a-36
0.510
MAR-TRE-3e4e6814-25
0.510
MAR-TRE-04c86cea-45
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MAR-TRE-7f7bb9f0-7
0.505
MAR-TRE-b77b7921-98
0.505
MAR-TRE-3e4e6814-18
0.500
MAR-TRE-67513f76-15
0.490
MAR-TRE-67513f76-23
0.490
MAR-TRE-4b834d9a-39
0.489
MAR-TRE-04c86cea-56
0.485
MAR-TRE-3e4e6814-75
0.484
MAR-TRE-67513f76-62
0.480
MAR-TRE-04c86cea-69
0.480
MAR-TRE-67513f76-72
0.472
MAR-TRE-f6f5f473-53
0.455
MAR-TRE-b77b7921-68
0.454
MAR-TRE-3e4e6814-60
0.452
MAR-TRE-3e4e6814-69
0.452
MAR-TRE-3e4e6814-26
0.444
MAR-TRE-04c86cea-20
0.436
MAR-TRE-4b834d9a-3
0.436
MAR-TRE-74c6519b-72
0.435
MAR-TRE-3e4e6814-20
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MAR-TRE-9c797165-100
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MAR-TRE-4b834d9a-2
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MAR-TRE-f6f5f473-45
0.430
MAR-TRE-4b834d9a-25
0.426
MAR-TRE-04c86cea-72
0.425
MAR-TRE-7f7bb9f0-65
0.424
MAR-TRE-04c86cea-63
0.423
MAR-TRE-b77b7921-100
0.408
MAR-TRE-f6f5f473-88
0.406
MAR-TRE-f6f5f473-62
0.404
MAR-TRE-d0525fbf-23
0.400
MAR-TRE-f6f5f473-43
0.400
MAR-TRE-f6f5f473-82
0.400
MAR-TRE-3e4e6814-5
0.398