Molecular Properties | |
SMILES: | Cc1ccc(CNC(=O)Cn2c(=O)n(-c3ccccc3)c3ncccc32)cc1 |
MW: | 372.16 |
Fraction sp3: | 0.14 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 68.92 |
cLogP: | 2.81 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-028-858-889 |
MAR-TRE-f6f5f473-94
0.808
MAR-TRE-04c86cea-21
0.792
MAR-TRE-04c86cea-52
0.792
MAR-TRE-f6f5f473-20
0.792
MAR-TRE-f6f5f473-55
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MAR-TRE-74c6519b-30
0.785
MAR-TRE-3e4e6814-21
0.775
MAR-TRE-f6f5f473-17
0.741
MAR-TRE-74c6519b-39
0.716
MAR-TRE-d0525fbf-79
0.690
MAR-TRE-74c6519b-45
0.686
MAR-TRE-04c86cea-80
0.675
MAR-TRE-04c86cea-60
0.671
MAR-TRE-4b834d9a-23
0.667
MAR-TRE-4b834d9a-60
0.667
MAR-TRE-3e4e6814-73
0.663
MAR-TRE-04c86cea-58
0.659
MAR-TRE-04c86cea-69
0.643
MAR-TRE-04c86cea-45
0.635
MAR-TRE-3e4e6814-18
0.634
MAR-TRE-b77b7921-48
0.633
MAR-TRE-f6f5f473-22
0.629
MAR-TRE-74c6519b-92
0.628
MAR-TRE-d0525fbf-9
0.625
MAR-TRE-d0525fbf-37
0.625
MAR-TRE-4b834d9a-35
0.621
MAR-TRE-f6f5f473-68
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MAR-TRE-3e4e6814-69
0.620
MAR-TRE-3e4e6814-86
0.609
MAR-TRE-04c86cea-33
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MAR-TRE-b77b7921-27
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MAR-TRE-f6f5f473-12
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MAR-TRE-4b834d9a-36
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MAR-TRE-b77b7921-43
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MAR-TRE-04c86cea-70
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MAR-TRE-74c6519b-77
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MAR-TRE-67513f76-11
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MAR-TRE-f6f5f473-88
0.596
MAR-TRE-f6f5f473-53
0.593
MAR-TRE-f6f5f473-43
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MAR-TRE-74c6519b-73
0.590
MAR-TRE-3e4e6814-2
0.581
MAR-TRE-74c6519b-70
0.576
MAR-TRE-b77b7921-20
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MAR-TRE-f6f5f473-66
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MAR-TRE-3e4e6814-25
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MAR-TRE-3e4e6814-4
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MAR-TRE-7f7bb9f0-3
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MAR-TRE-b77b7921-100
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MAR-TRE-d0525fbf-6
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MAR-TRE-74c6519b-6
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MAR-TRE-4b834d9a-69
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MAR-TRE-b77b7921-98
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MAR-TRE-7f7bb9f0-70
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MAR-TRE-d0525fbf-70
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MAR-TRE-d0525fbf-8
0.542
MAR-TRE-74c6519b-86
0.538
MAR-TRE-3e4e6814-60
0.532
MAR-TRE-9c797165-85
0.527
MAR-TRE-d0525fbf-12
0.526
MAR-TRE-9c797165-23
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MAR-TRE-74c6519b-5
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MAR-TRE-f6f5f473-21
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MAR-TRE-d0525fbf-3
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MAR-TRE-d0525fbf-68
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MAR-TRE-4b834d9a-32
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MAR-TRE-4b834d9a-54
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MAR-TRE-4b834d9a-76
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MAR-TRE-04c86cea-73
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MAR-TRE-f6f5f473-82
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MAR-TRE-3e4e6814-26
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MAR-TRE-04c86cea-57
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MAR-TRE-74c6519b-72
0.495
MAR-TRE-d0525fbf-21
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MAR-TRE-9c797165-78
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MAR-TRE-3e4e6814-5
0.494
MAR-TRE-d0525fbf-2
0.490
MAR-TRE-b77b7921-45
0.490
MAR-TRE-7f7bb9f0-22
0.490
MAR-TRE-d0525fbf-44
0.485
MAR-TRE-7f7bb9f0-1
0.485
MAR-TRE-04c86cea-3
0.480
MAR-TRE-f6f5f473-62
0.475
MAR-TRE-04c86cea-56
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MAR-TRE-f6f5f473-16
0.474
MAR-TRE-3e4e6814-12
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MAR-TRE-3e4e6814-10
0.473
MAR-TRE-7f7bb9f0-78
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MAR-TRE-b77b7921-54
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MAR-TRE-d0525fbf-71
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MAR-TRE-7f7bb9f0-71
0.469
MAR-TRE-3e4e6814-11
0.469
MAR-TRE-04c86cea-36
0.469
MAR-TRE-04c86cea-63
0.469
MAR-TRE-7f7bb9f0-73
0.466
MAR-TRE-b77b7921-59
0.463
MAR-TRE-3e4e6814-14
0.463
MAR-TRE-67513f76-23
0.462
MAR-TRE-4b834d9a-39
0.462
MAR-TRE-b77b7921-68
0.456