D3Targets-2019-nCoV

D3Docking

Job Title:title_220505232556

Job File:Structure2D_CID_5280372.mol2

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

Molecular Descriptors:Molecular Weight: 342.13
Lipid-Water partition: -1.12
Number of Hydrogen Bond Acceptors: 8
Number of Hydrogen Bond Donors: 5
Number of Rotatable Bonds: 6
Number of Heavy Atoms: 24
Number of Aliphatic Rings of a Molecular: 1
Number of Aromatic Rings of a Molecular: 1
Topological Polar Suface Area: 128.84
Druglikeness: Excellent

Rank	Target Full Name	State	Score	ProteinID	Pocket	Organism	Model Source	Rank^a
1	2'-O-Methyltransferase		-7.79	P0DTD1	Pocket1	SARS-CoV-2	PDB	8

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).

Menu

D3Docking

D3Similarity

D3AI-CoV

D3Pockets

D3AI-Spike

CoViProteins

CoViLigands

D3Docking