Property Explorer

Property Explorer is a free tool to predict physico-chemical and toxicological molecular properties, which need to be optimized when designing pharmaceutically active compounds. It was originally developed by T. Sander and used at Actelion Pharmaceutical Ltd. as integrated component of the compound registration system in the drug discovery department. As OSIRIS Property Explorer it was released to the public in 1999 on Actelion's web site to demonstrate the applicability of Java applets for real-time cheminformatics applications. This applet is also available on and Early 2013 the algorithms for logP prediction and toxicity detection were improved. A calculation of the topological polar surface area (TPSA) and a name/smiles/CAS-No-to-structure functionality was added.

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More information about properties and algorithms