Molecule with IUPAC name shows up as artefact

Hi,


C=C1Cc2cc3C1c4cccc5sc3c(c2)c45


has a IUPAC NAME and logp (4.13) but shows only up as


artefact on the screen. Daylight SMILES depict also breaks down - holy SMILES :-)


See attachement.


Tobias

Hi,





The 4.2 marvin release will have an improved 2D coordinate generation method (clean2D). In which this molecule will have coordinates (not every atom is collapsed to 0.0).


It is going to be released in autumn.


Is this acceptable for you?





Andras

Hi András,


thanks for you reply, just consider it as chemical noise,


this structure will never exist, I just thought its good if


Marvin can not render it, it could just say NA or print the


molecular formula or a black dot or so. I don't know how


you test if a molecule can be rendered or not. The 3D clean works and then a 2D will also display the molecule correctly.





The data came out of a deterministic molecular isomer generator so there are many bastard molecules.





Kind regards


Tobias

Thank you for the suggestion. I agree that a black dot or some info is more useful.








Andras