I have a dataset of multiple ligands from pdb (~5000)and I would like to filter them on the basis of:
1. either they are actual drug like molecule or not,
2. Lipinski rule of 5,
3. a particular threshold for binding affinity.
Is there such a tool available to perform even a one of the above mentioned tasks?
I have found a software but its release is pending. (http://biochemlabsolutions.com/Molecule%20Docking/DRUG-LIKELINESS/Drug-like.html)