Knowledge Base

Article ID: 86 - Last Modified:

Can I filter my compounds based on ADME properties ?

Schrodinger's ADME program QikProp predicts physically significant descriptors and pharmaceutically relevant properties of organic, ligand-like molecules.

QikProp reports a "95% Range for known drugs" for each descriptor and property. After verifying the ranges for your set of molecules, you can use these values as filtering criteria.

The #stars property measures the number of property or descriptor values that fall outside the 95% range of similar values for known drugs. There are also values for "Rule of Five" and "Rule of "Three" which give indications of drug-likeness and oral availability.

After running QikProp to obtain the properties and descriptors, the filtering can be performed with LigFilter, available in the utilities directory and in Maestro under Tools.

Back to Search Results

Was this information helpful?

What can we do to improve this information?


To ask a question or get help, please submit a support ticket or email us at help@schrodinger.com.
Knowledge Base Search

Type the words or phrases on which you would like to search, or click here to view a list of all
Knowledge Base articles