Overlap and Missing stereochemistry

reymond-group / smilesDrawer

A small, highly performant JavaScript component for parsing and drawing SMILES strings. Released under the MIT license.

https://smilesdrawer.rocks

MIT License

434 stars 67 forks source link

Open A-Thakkar opened 6 years ago

A-Thakkar commented 6 years ago

Smiles: CC@@H C@(CN1C=NC=N1)C1=C(F)C=C(F)C=C1

Missing stereochemistry at the Quaternary carbon, and overlapping aromatic rings.

SmilesDrawer: weird_smiles

Marvin: marvin_weird_smiles