dProperties

dProperties is an easy-to-use application for the calculation of physicochemical properties and drug-like indices. dProperties calculates 62 properties (see the complete list of properties). These properties can be used to characterise molecules, for screening and filtering of molecule databases.

dProperties has been designed to work both for Windows and Linux, as graphical and command-line interface. Look at the screenshots of dProperties.

dProperties offers filters based upon calculated properties, removes compounds with impossible bonding and inappropriate elements, generates sdf files and tab-separated files suitable for import into spreadsheets.

Input files. Supported molecule formats are MDL, Sybyl, HyperChem, Macromodel, Smiles, CML (Chemical Markup Language) and HyperChem. There are no restrictions on the number of molecules and on the atom types. Molecular structures stored in files of different types can be loaded and contemporarily processed in the same batch.

A molecule viewer is provided to display the molecular structures that have been imported for descriptor calculation.

Check the complete list of features in the on-line dProperties user manual.

Have a look at the system requirements of dProperties.

dProperties main characteristics:  

No. molecular properties

62

No. molecules per batch

unlimited

No. atoms per molecule (H included)

unlimited

Maximal atom connectivity (no. of bonds) unlimited
Operating system Windows, Linux
Graphical user interface yes
Batch mode yes