Clean2d not working reliable

MarvinSketch 3.5.8


There is something wrong with 2d clean


Paste the following structure in MSketch and try to clean it

Code:

CC1=C(SC=C1)C2N(CC3=C(Cl)C=CC=C3OC4=CC=CC=C4)C(=O)CN5N=NN=C25

Best results for similar structures in smiles were obtained by


molecule.aromatize();


molecule.clean(2,"O2");


molecule.clean(2,"O2");


molecule.clean(2,"O2");


molecule.dearomatize();





But of course, I simply would like to use max 2 lines:


molecule.dearomatize();


molecule.clean(2,"O2");

Thank you for the report.


We will definitely fix this problem.


Andras