Tools

What you can do

Compute molecular weight, logP, TPSA, and a Lipinski rule of five check from a SMILES string or structure. Validate SMILES and run batch calculations for many molecules at once. Export results as PDF reports or CSV. For 3D structure viewing and export, use the 3D Viewer; for export formats and batch export options, see Export. New to the site? Start with the Getting started guide.