substructure search in IJChem

User 9dface4c6c

14-11-2008 18:59:32

Hi,





Is there a way to search for structures containing two functional groups?


For example, dicarboxyl acids where two carboxyl groups are separated by unkown distance?


Thanks.





Pil

ChemAxon fa971619eb

17-11-2008 08:01:40

Yes, this is quite easy.


Draw both of your functional group disconnected from each other.


e.g. for dicarboxyl acids use this smiles expression:


OC=O.OC=O








Tim

User 9dface4c6c

17-11-2008 16:02:17

Tim,





That works great!


Thanks.





Pil