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D3Docking

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D3Docking

Job Title:title_220522212946
Job File:xie.sdf
File Link:download

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

Molecular Descriptors:Molecular Weight: 533.33
Lipid-Water partition: 4.38
Number of Hydrogen Bond Acceptors: 5
Number of Hydrogen Bond Donors: 3
Number of Rotatable Bonds: 8
Number of Heavy Atoms: 39
Number of Aliphatic Rings of a Molecular: 2
Number of Aromatic Rings of a Molecular: 2
Topological Polar Suface Area: 95.86
Druglikeness: Good
Score:export to excel