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D3Docking
Job Title:
title_QQQ5
Job File:
表没食子儿茶素没食子酸酯.sdf
File Link:
download
Note:
The 'pml' files in the result should be opened in
PyMOL2
.
Molecular Descriptors:
Molecular Weight: 458.08
Lipid-Water partition: 2.23
Number of Hydrogen Bond Acceptors: 11
Number of Hydrogen Bond Donors: 8
Number of Rotatable Bonds: 3
Number of Heavy Atoms: 33
Number of Aliphatic Rings of a Molecular: 1
Number of Aromatic Rings of a Molecular: 3
Topological Polar Suface Area: 197.37
Druglikeness: Maybe bad
Score:
export to excel
Rank
Target Full Name
State
Score
ProteinID
Pocket
Organism
Model Source
Rank
a