Hi RDKiters,
I would like to identify all cycles present in a molecular
structure. However, when the molecules correspond to bicyclic compounds,
the ring count does not correspond to the number actually observed in the
structure. Simple example:
>>> m = Chem.MolFromSmiles('C1CC2CCC1O2')
>>> r = m.GetRingInfo()
>>> r.NumRings()
2
In reality, this molecular structure has 3 cycles with the cyclohexan. Am I
completely wrong and is there a trick to identify all the cycles present in
a structure?
Thanks in advance,
Best regards,
Baptiste
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