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D3Docking

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D3Docking

Job Title:title_QQQ5
Job File:表没食子儿茶素没食子酸酯.sdf
File Link:download

Note:
The 'pml' files in the result should be opened inPyMOL2.

Molecular Descriptors:Molecular Weight: 458.08
Lipid-Water partition: 2.23
Number of Hydrogen Bond Acceptors: 11
Number of Hydrogen Bond Donors: 8
Number of Rotatable Bonds: 3
Number of Heavy Atoms: 33
Number of Aliphatic Rings of a Molecular: 1
Number of Aromatic Rings of a Molecular: 3
Topological Polar Suface Area: 197.37
Druglikeness: Maybe bad
Score:export to excel