Physicochemical Properties

Overview

The module performs a quick check on several useful properties characterizing the compound of interest in general. The results cover Lipinski-type properties (MW, TPSA, numbers of hydrogen bond donors and acceptors, etc.).

Interface

File:physchem.png

1. Displays physicochemical properties:
   • Molecular Weight
   • No. of Hydrogen Bond Donors
   • No. of Hydrogen Bond Acceptors
   • TPSA
   • No. of Rotatable Bonds
2. Up to 5 most similar drug-like structures