Before you start

dProperties is an easy-to-use application for the calculation of molecular properties and drug-like indices. dProperties provides 62 molecular properties. These properties can be used to characterise molecules, for screening and filtering of molecule databases. 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.

 

dProperties requires molecular structure files, which need to be previously generated by other specific chemical drawing programs. The most common molecular file formats are accepted.

 

dProperties does not need 3D chemical structures since it works on topological information. Molecular properties can be calculated for any connected molecular structure. In the case of molecular structures lacking in hydrogen atoms, the software can attach hydrogens to atoms in order to make up the rest of their normal valence.

 

Regardless of the way a molecular structure has been defined in the input file, it will always be converted into an internal standard representation by dProperties rules for bond order and aromaticity detection.

 

On-line information about dProperties software is given at the web site http://www.talete.mi.it/products/dproperties_description.htm