Job Title:title_QQQ12
Job File:龙胆酸.sdf
File Link:download

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

Molecular Descriptors:Molecular Weight: 154.03
Lipid-Water partition: 0.8
Number of Hydrogen Bond Acceptors: 3
Number of Hydrogen Bond Donors: 3
Number of Rotatable Bonds: 1
Number of Heavy Atoms: 11
Number of Aliphatic Rings of a Molecular: 0
Number of Aromatic Rings of a Molecular: 1
Topological Polar Suface Area: 77.76
Druglikeness: Excellent
Score:export to excel