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This website allows you to compute physicochemical descriptors as well as predict pharmacokinetics properties and druglike nature of one or multiple small molecules.

Manuscripts describing the web service and its underlying methodologies are currently in preparation.
For details about development and validation of iLOG , please refer to this article: iLOGP: a simple, robust, and efficient description of n-octanol/water partition coefficient for drug design using the GB/SA approach. J. Chem. Inf. Model. (2014) 54(12):3284-3301.
For details about development and validation of the BOILED-Egg, please refer to this article: A BOILED-Egg to predict gastrointestinal absorption and brain penetration of small molecules. ChemMedChem (2016) in press.

Developed and maintained by the Molecular Modeling Group of the SIB | Swiss Institute of Bioinformatics.


Enter a list of SMILES here: