Molecular Properties | |
SMILES: | O=C(Cn1c(=O)n(-c2ccccc2)c2ncccc21)NCc1ccc(Cl)cc1 |
MW: | 392.1 |
Fraction sp3: | 0.1 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 68.92 |
cLogP: | 3.16 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6579423460 |
MolPort: | MolPort-010-917-442 |
MAR-TRE-f6f5f473-94
0.808
MAR-TRE-f6f5f473-20
0.792
MAR-TRE-04c86cea-52
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MAR-TRE-4b834d9a-35
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MAR-TRE-d0525fbf-9
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MAR-TRE-04c86cea-69
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MAR-TRE-d0525fbf-79
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MAR-TRE-04c86cea-60
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MAR-TRE-74c6519b-45
0.667
MAR-TRE-4b834d9a-60
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MAR-TRE-3e4e6814-73
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MAR-TRE-f6f5f473-55
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MAR-TRE-04c86cea-45
0.655
MAR-TRE-4b834d9a-23
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MAR-TRE-04c86cea-58
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MAR-TRE-b77b7921-43
0.636
MAR-TRE-4b834d9a-36
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MAR-TRE-b77b7921-27
0.625
MAR-TRE-f6f5f473-17
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MAR-TRE-74c6519b-30
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MAR-TRE-3e4e6814-18
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MAR-TRE-3e4e6814-21
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MAR-TRE-d0525fbf-37
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MAR-TRE-3e4e6814-69
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MAR-TRE-67513f76-11
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MAR-TRE-74c6519b-39
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MAR-TRE-f6f5f473-53
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MAR-TRE-f6f5f473-16
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MAR-TRE-04c86cea-36
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MAR-TRE-74c6519b-77
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MAR-TRE-d0525fbf-6
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MAR-TRE-b77b7921-98
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MAR-TRE-4b834d9a-76
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MAR-TRE-7f7bb9f0-3
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MAR-TRE-d0525fbf-12
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MAR-TRE-b77b7921-100
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MAR-TRE-4b834d9a-6
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MAR-TRE-4b834d9a-54
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MAR-TRE-3e4e6814-2
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MAR-TRE-b77b7921-48
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MAR-TRE-f6f5f473-22
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MAR-TRE-4b834d9a-4
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MAR-TRE-d0525fbf-21
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MAR-TRE-04c86cea-33
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MAR-TRE-3e4e6814-86
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MAR-TRE-74c6519b-86
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MAR-TRE-d0525fbf-44
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MAR-TRE-7f7bb9f0-1
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MAR-TRE-b77b7921-20
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MAR-TRE-b77b7921-5
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MAR-TRE-74c6519b-72
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MAR-TRE-9c797165-78
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MAR-TRE-3e4e6814-5
0.477
MAR-TRE-7f7bb9f0-71
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MAR-TRE-3e4e6814-25
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MAR-TRE-f6f5f473-88
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MAR-TRE-b77b7921-59
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MAR-TRE-f6f5f473-43
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MAR-TRE-d0525fbf-71
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MAR-TRE-b77b7921-54
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MAR-TRE-7f7bb9f0-78
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MAR-TRE-04c86cea-63
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MAR-TRE-7f7bb9f0-73
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MAR-TRE-f6f5f473-66
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MAR-TRE-67513f76-23
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MAR-TRE-f6f5f473-62
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MAR-TRE-04c86cea-56
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MAR-TRE-3e4e6814-12
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MAR-TRE-3e4e6814-75
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MAR-TRE-67513f76-62
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MAR-TRE-3e4e6814-60
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MAR-TRE-67513f76-15
0.437
MAR-TRE-f6f5f473-96
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MAR-TRE-04c86cea-57
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MAR-TRE-3e4e6814-7
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MAR-TRE-74c6519b-27
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