Submission Details

Molecule(s):
COc1ccc(Cc2cnnn2-c2cc(OC)c(OC)c(OC)c2)cc1

TAN-UNK-0373ceaf-1

COc1ccc(Cc2cnnn2-c2cc(OC)c(OC)c(OC)c2)cc1


Design Rationale:

I used machine learning to generate the compound based on existing inhibitors for the SARS coronavirus 3C-like proteinase. A large mass of compounds was generated and this compound happened to have the best predicted binding affinity to the protein by far.

Discussion: