OEGetLongestUnbranchedHeavyAtomsChain

unsigned int OEGetLongestUnbranchedHeavyAtomsChain(const OEChem::OEMolBase &mol)

Returns the size of the longest chain of heavy atoms in a molecule. This is defined to be the maximum number of connected, unbranched, and non-ring heavy atoms. An unbranched atom is a chain atom with maximum two connections to other heavy chain atoms. A set of unbranched atoms which are connected together form a chain. A molecule may contain multiple chains which are isolated from each other by non-chain atoms (e.g. ring or branched atoms).

See also

• OEGetLongestUnbranchedCarbonsChain function

• Unbranched Chains subsection describing filter files

Examples

The OEGetLongestUnbranchedHeavyAtomsChain function returns 4 for the molecule below.

The OEGetLongestUnbranchedHeavyAtomsChain function returns 4 for the molecule below.