Dear rdkit users, I'm trying to use rdkit to calculate pharmacophore patterns in molecules.
I found that the code recognizes methylamide's N atom as a donor. For example, the N atom in CCN(C)C(=O)CC. I don't think this N atom can act as a hydrogen bond donor. This N atom can match the following SMARTS in BaseFeatures.fdef 'AtomType NDonor [$([Nv3](-C)(-C)-C)]' Maybe this SMARTS was designed to match aliphatic amines originally. Or other ? Can I change it into 'AtomType NDonor [$([Nv3](-[C;X4])(-[C;X4])-[C;X4])]' ? Many thanks for your help. Best regards, Changge
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