Submission Details
Molecule(s):
Cc1[nH]nc(N2CCN(C3CCOC3)CC2)c1-c1ccc(C(C)(C)N)c(N(C)C)n1
Design Rationale:
We used our library generation and optimization pipeline to create >19k drug candidates with the COVID 19 main protease as the target. We then use thresholds for binding scores and QED estimates to select the most effective candidates from our library.