Molecular Properties | |
SMILES: | Cc1ccc(Cn2c(=O)n(CCNC(=O)c3ccco3)c3ncccc32)cc1 |
MW: | 376.15 |
Fraction sp3: | 0.19 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 82.06 |
cLogP: | 2.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-028-859-220 |
MAR-TRE-f6f5f473-93
0.644
MAR-TRE-3e4e6814-71
0.640
MAR-TRE-f6f5f473-42
0.628
MAR-TRE-3e4e6814-70
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MAR-TRE-f6f5f473-61
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MAR-TRE-3e4e6814-64
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MAR-TRE-d0525fbf-88
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MAR-TRE-04c86cea-54
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MAR-TRE-04c86cea-14
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MAR-TRE-04c86cea-88
0.495
MAR-TRE-d0525fbf-66
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MAR-TRE-f6f5f473-41
0.490
MAR-TRE-3e4e6814-51
0.485
MAR-TRE-3e4e6814-94
0.471
MAR-TRE-74c6519b-11
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MAR-TRE-4b834d9a-51
0.452
MAR-TRE-f6f5f473-66
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MAR-TRE-74c6519b-40
0.423
MAR-TRE-04c86cea-73
0.422
MAR-TRE-04c86cea-74
0.419
MAR-TRE-74c6519b-75
0.418
MAR-TRE-f6f5f473-40
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MAR-TRE-74c6519b-92
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MAR-TRE-04c86cea-12
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MAR-TRE-f6f5f473-54
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MAR-TRE-3e4e6814-35
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MAR-TRE-74c6519b-73
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MAR-TRE-f6f5f473-92
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MAR-TRE-3e4e6814-25
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MAR-TRE-74c6519b-30
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MAR-TRE-f6f5f473-34
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MAR-TRE-f6f5f473-55
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MAR-TRE-f6f5f473-86
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MAR-TRE-f6f5f473-17
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MAR-TRE-3e4e6814-42
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MAR-TRE-3e4e6814-21
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MAR-TRE-7f7bb9f0-17
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MAR-TRE-7f7bb9f0-85
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MAR-TRE-74c6519b-6
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MAR-TRE-04c86cea-80
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MAR-TRE-67513f76-18
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MAR-TRE-3e4e6814-86
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MAR-TRE-74c6519b-39
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MAR-TRE-f6f5f473-12
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MAR-TRE-f6f5f473-21
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MAR-TRE-74c6519b-21
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MAR-TRE-9c797165-23
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MAR-TRE-f6f5f473-43
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MAR-TRE-3e4e6814-60
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MAR-TRE-f6f5f473-22
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MAR-TRE-f6f5f473-68
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MAR-TRE-d0525fbf-60
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MAR-TRE-4b834d9a-93
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MAR-TRE-b77b7921-20
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MAR-TRE-f6f5f473-88
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MAR-TRE-3e4e6814-10
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MAR-TRE-3e4e6814-5
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MAR-TRE-b77b7921-48
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MAR-TRE-74c6519b-5
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MAR-TRE-04c86cea-33
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MAR-TRE-3e4e6814-11
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MAR-TRE-04c86cea-70
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MAR-TRE-74c6519b-25
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MAR-TRE-7f7bb9f0-39
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MAR-TRE-3e4e6814-26
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MAR-TRE-4b834d9a-50
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MAR-TRE-67513f76-27
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MAR-TRE-b77b7921-45
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MAR-TRE-3e4e6814-4
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MAR-TRE-7f7bb9f0-57
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MAR-TRE-b77b7921-11
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MAR-TRE-04c86cea-57
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MAR-TRE-7f7bb9f0-71
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MAR-TRE-3e4e6814-33
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MAR-TRE-9c797165-78
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MAR-TRE-67513f76-2
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MAR-TRE-f6f5f473-94
0.311
MAR-TRE-04c86cea-3
0.310
MAR-TRE-74c6519b-70
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MAR-TRE-3e4e6814-12
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AAR-UNI-c25c2f1e-91
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MAR-TRE-4b834d9a-55
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MAR-TRE-4b834d9a-95
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MAR-TRE-04c86cea-67
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MAR-TRE-9c797165-85
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MAR-TRE-3e4e6814-73
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MAR-TRE-3e4e6814-18
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MAR-TRE-74c6519b-78
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MAR-TRE-04c86cea-66
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MAR-TRE-4b834d9a-12
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MAR-TRE-3e4e6814-14
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MAR-TRE-4b834d9a-33
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MAR-TRE-4b834d9a-60
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MAR-TRE-b77b7921-54
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MAR-TRE-4b834d9a-22
0.301
MAR-TRE-b77b7921-23
0.301
MAR-TRE-04c86cea-55
0.301
MAR-TRE-9c797165-18
0.300
MAR-TRE-4b834d9a-23
0.300
MAR-TRE-9c797165-74
0.299