[Rdkit-discuss] MCS question

[王昊 <hwa...@16...>]

Hi:
    I have two molecules as shown below. It seems that they should not have a common substructure or the substructure is smaller,, but they can match the following results. I have added parameters to no avail. How can I solve this problem?
code:
smi1 = 'CC(=O)OCCc1ccccc1'

smi2 = 'CCCCCC'

mol1 = Chem.MolFromSmiles(smi1)

mol2 = Chem.MolFromSmiles(smi2)




params = rdFMCS.MCSParameters()

params.BondCompare = rdFMCS.BondCompare.CompareOrderExact 

params.AtomCompare = rdFMCS.AtomCompare.CompareAny

params.MatchValences = True

params.MatchChiralTag = True




mcs = rdFMCS.FindMCS([mol1, mol2],params)

mcs_smarts = mcs.smartsString

mcs_smiles = Chem.MolToSmiles(Chem.MolFromSmarts(mcs_smarts))

print (mcs_smarts)

print (mcs_smiles)


result: 
[#6]-[#6]-[#6]-,:[#6]-,:[#6]-,:[#6]
CCCCCC