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2019-nCoV
D3Docking
Job Title:
title_QQQ11
Job File:
连翘酯苷A.sdf
File Link:
download
Note:
The 'pml' files in the result should be opened in
PyMOL2
.
Molecular Descriptors:
Molecular Weight: 624.21
Lipid-Water partition: -1.02
Number of Hydrogen Bond Acceptors: 15
Number of Hydrogen Bond Donors: 9
Number of Rotatable Bonds: 10
Number of Heavy Atoms: 44
Number of Aliphatic Rings of a Molecular: 2
Number of Aromatic Rings of a Molecular: 2
Topological Polar Suface Area: 245.29
Druglikeness: Maybe bad
Score:
export to excel
Rank
Target Full Name
State
Score
ProteinID
Pocket
Organism
Model Source
Rank
a