D3Docking

Job Title:Curcumin
Job File:curcumin.sdf
File Link:download

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

Molecular Descriptors:Molecular Weight: 368.13
Lipid-Water partition: 3.85
Number of Hydrogen Bond Acceptors: 6
Number of Hydrogen Bond Donors: 3
Number of Rotatable Bonds: 7
Number of Heavy Atoms: 27
Number of Aliphatic Rings of a Molecular: 0
Number of Aromatic Rings of a Molecular: 2
Topological Polar Suface Area: 96.22
Druglikeness: Excellent
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).

This site has been visited 3866831 times since Feb 2020.