The largest enumerated database of synthetically feasible molecules
The REAL Database is one of the ways to explore the REAL Compounds. It is a classical database of enumerated structures. The database is a tool to find new hit molecules using large-scale virtual screening and to search for analogs of your hit molecules. The REAL Database is accessible as SMILES, SDF, and it is searchable on Enaminestore.
The current release of the REAL database comprises over 9.6B molecules which comply with Ro5 and Veber criteria: MW≤500, SlogP≤5, HBA≤10, HBD≤5, RotBonds≤10, and TPSA≤140.
Download REAL database, 9.6B compounds
Molecules are sorted based on Heavy Atom Count (HAC). Fields description can be found here.
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.), structural alerts (PAINS, Brenk, and Eli Lilly medchem rules), 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.
