I was wondering if there is some software out there which will inspect
secondary or tertiary structures of molecules and give an idea of their
lipophilicty. Real world numbers are not particularly important, but
something that could say "structure X is more water soluble than structure Y
and much more water soluble than structure Z" would be very helpful.
TIA and Cheers!
Ian.Musgrave at med.monash edu.au (Ian Musgrave)