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R-Group Enumeration

RASA · Module 01

R-Group Enumeration

Bioisosteric replacement on Murcko scaffolds. Submit a SMILES, choose categories for R1 / R2 / R3, and the enumerated library (SDF + CSV) lands in your inbox.

Bioisostere library Murcko scaffold SDF + CSV by email
R-Group Enumeration

Input

Enter exactly one SMILES string for the parent molecule.

R-Position Categories

Safety cap to avoid combinatorial blow-up. Combinations beyond this are truncated per parent molecule.
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