D3Docking

Job Title:title_210909231540
Job File:w10.sdf
File Link:download

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

Molecular Descriptors:Molecular Weight: 0
Lipid-Water partition: 0
Number of Hydrogen Bond Acceptors:
Number of Hydrogen Bond Donors:
Number of Rotatable Bonds:
Number of Heavy Atoms:
Number of Aliphatic Rings of a Molecular:
Number of Aromatic Rings of a Molecular:
Topological Polar Suface Area: 0
Druglikeness:
Score:export to excel

Note:
a: Docking score rank with 99 representative structures from 2103 FDA approved drugs, the topper the better (e.g., 3 is better than 20).

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