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D3Docking

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Job Title:title_QQQ8
Job File:黄岑干.sdf
File Link:download

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

Molecular Descriptors:Molecular Weight: 446.08
Lipid-Water partition: 0.14
Number of Hydrogen Bond Acceptors: 10
Number of Hydrogen Bond Donors: 6
Number of Rotatable Bonds: 4
Number of Heavy Atoms: 32
Number of Aliphatic Rings of a Molecular: 1
Number of Aromatic Rings of a Molecular: 3
Topological Polar Suface Area: 187.12
Druglikeness: Good
Score:export to excel