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D3Docking

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D3Docking

Job Title:titleQQQ10
Job File:咖啡酸.sdf
File Link:download

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

Molecular Descriptors:Molecular Weight: 180.04
Lipid-Water partition: 1.2
Number of Hydrogen Bond Acceptors: 3
Number of Hydrogen Bond Donors: 3
Number of Rotatable Bonds: 2
Number of Heavy Atoms: 13
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