MolDesc computes molecular descriptor values such as molecular weight, logP, topological polar surface area,
number of hydrogen bond donors and acceptors or rotatable bonds ...
It is based on RDKit and can be applied on any drawn molecule.
List of open-source softwares used in MolDesc:
- PKIDB (F. Carles, S. Bourg, C. Meyer and P. Bonnet, PKIDB: A Curated, Annotated and Updated Database of Protein Kinase Inhibitors in Clinical Trials, Molecules 23(4), 908 (2018))