The largest enumerated dataset of synthetically feasible drug-like molecules
The REAL Database is one of the ways to explore the drug-like representation of Enamine REAL Compounds. The database is a subset of Enamine REAL Space and can be used a tool to find new hit molecules using large-scale virtual screening and to search for analogs of your hits. The REAL Database is accessible as SMILES, SDF, and it is searchable on Enaminestore.
The current release of the REAL Database comprises over 10.1B molecules which comply with Ro5 and Veber criteria: MW≤500, SlogP≤5, HBA≤10, HBD≤5, RotBonds≤10, and TPSA≤140.
Despite its size, the REAL Database is easy to work with. Along with SMILES and catalog IDs, you can find for each REAL molecule important physicochemical parameters (MW, SLogP, HBA, HBD, etc.), relation to the REAL Database subsets, and type of chemistry and, therefore, an effort, utilized for the synthesis (“s”, simple chemistry, standard effort, “m”, advanced chemistry, high effort). The list of building blocks utilized to assemble the REAL compounds can be received upon request.
Download Enamine REAL database, 10.1B compounds
Molecules are sorted based on Heavy Atom Count (HAC). Fields description can be found here.