[Rdkit-discuss] Two functional groups in a single SMARTS pattern

[Andreas L. <and...@gm...>]

Dear community,

I'm looking for a way to identify molecules that have two functional
groups, for instance a primary amine and a ketone.

How can I construct a single SMARTS pattern that encompasses two functional
groups?

I've tried the following pattern:
[#7H2].[#6][#6](=[O])[#6,#1]

This should ideally hit compounds that have both a primary amine and a
ketone/aldehyde. For instance, the molecule:
mol = Chem.MolFromSmiles("NCC(=O)")

However, I get no matches using this SMARTS pattern. Is there anyway to
enforce the identification with a single pattern?

Thanks in advance!

Best regards,
Andreas