Molecular Properties | |
SMILES: | COc1cccc(C(CC(=O)O)NC(=O)c2cncnc2)c1 |
MW: | 301.11 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 101.41 |
cLogP: | 1.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8364040549 |
MolPort: | MolPort-046-723-469 |
MAR-TRE-92684b97-86
0.677
MAR-TRE-66ac689e-41
0.672
MAR-TRE-9d18ae8c-19
0.653
MAR-TRE-66ac689e-18
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MAR-TRE-66ac689e-93
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MAR-TRE-a9136c7b-49
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MAR-TRE-92684b97-77
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MAR-TRE-4f781e27-20
0.568
MAR-TRE-9d18ae8c-24
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MAR-TRE-4f781e27-71
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MAR-TRE-9d18ae8c-59
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MAR-TRE-92684b97-56
0.552
MAR-TRE-66ac689e-98
0.549
MAR-TRE-92684b97-29
0.548
MAR-TRE-e82e6c98-70
0.545
MAR-TRE-92684b97-12
0.538
MAR-TRE-9d18ae8c-21
0.536
MAR-TRE-799db12b-46
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MAR-TRE-4f781e27-56
0.527
MAR-TRE-a9136c7b-78
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MAR-TRE-799db12b-50
0.521
MAR-TRE-799db12b-87
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MAR-TRE-799db12b-19
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MAR-TRE-8190bb11-11
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MAR-TRE-66ac689e-92
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MAR-TRE-a9136c7b-71
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MAR-TRE-66ac689e-57
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MAR-TRE-a9136c7b-59
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MAR-TRE-92684b97-2
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MAR-TRE-8190bb11-70
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MAR-TRE-e82e6c98-46
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MAR-TRE-66ac689e-68
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MAR-TRE-a9136c7b-5
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MAR-TRE-799db12b-47
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MAR-TRE-66ac689e-95
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MAR-TRE-92684b97-71
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MAR-TRE-799db12b-94
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MAR-TRE-66ac689e-80
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MAR-TRE-9d18ae8c-40
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MAR-TRE-c317dd82-94
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MAR-TRE-9d18ae8c-86
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MAR-TRE-66ac689e-87
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MAR-TRE-9d18ae8c-99
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MAR-TRE-8190bb11-58
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MAR-TRE-92684b97-1
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MAR-TRE-92684b97-32
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MAR-TRE-92684b97-14
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MAR-TRE-4f781e27-37
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MAR-TRE-4f781e27-14
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MAR-TRE-66ac689e-79
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MAR-TRE-4f781e27-4
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MAR-TRE-9d18ae8c-80
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MAR-TRE-a9136c7b-98
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MAR-TRE-799db12b-32
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MAR-TRE-4f781e27-45
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MAR-TRE-4f781e27-91
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MAR-TRE-8190bb11-71
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MAR-TRE-66ac689e-84
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MAR-TRE-8190bb11-67
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MAR-TRE-92684b97-17
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MAR-TRE-8190bb11-59
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MAR-TRE-4f781e27-9
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MAR-TRE-92684b97-35
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MAR-TRE-799db12b-15
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MAR-TRE-8190bb11-28
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MAR-TRE-be9ff7d2-49
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MAR-TRE-be9ff7d2-64
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MAR-TRE-8190bb11-90
0.398
MAR-TRE-9d18ae8c-13
0.398
MAR-TRE-8190bb11-93
0.398
MAR-TRE-8190bb11-6
0.395
MAR-TRE-799db12b-31
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MAR-TRE-8190bb11-47
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MAR-TRE-92684b97-92
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MAR-TRE-799db12b-79
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MAR-TRE-66ac689e-62
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MAR-TRE-92684b97-4
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MAR-TRE-92684b97-93
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MAR-TRE-66ac689e-22
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MAR-TRE-92684b97-87
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MAR-TRE-be9ff7d2-48
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MAR-TRE-799db12b-28
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MAR-TRE-4f781e27-86
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MAR-TRE-9d18ae8c-67
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MAR-TRE-a9136c7b-70
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MAR-TRE-4f781e27-51
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MAR-TRE-8190bb11-48
0.382
MAR-TRE-4f781e27-73
0.382
MAR-TRE-66ac689e-49
0.382