logP calculations compounds containing metals

User 40ca52592d

10-11-2008 21:46:52


I try to calculate logP values of metal-based drugs. Is there any chance to do something like that, which program to use and how to use it....

Thanks so much for your help - I am really stuck!

ChemAxon b124dd5f17

12-12-2008 14:52:45


Very sorry for the delay I hope this is already solved.

Do look at Calculator Plugins in MarvinSketch, MarvinView see the "Tools" menu option.

For calculating batches you should use Instant JChem or the API or command line interface. It would also be worthwhile to look at Chemical Terms - which can apply structure based arguments (multiple calculations and logic).

Again sorry for the delay