REAL database

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 5.5B molecules which comply with “rule of 5“ and Veber criteria: MW≤500, SlogP≤5, HBA≤10, HBD≤5, rotatable bonds≤10, and TPSA≤140.

Download REAL database, 5.5B compounds

Molecules are sorted based on Heavy Atom Count (HAC)

Part
Description
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REAL database, HAC 6-21

Description

367M compounds, CXSMILES

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REAL database, HAC 22-23

Description

402M compounds, CXSMILES

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REAL database, HAC 24

Description

325M compounds, CXSMILES

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&nsbp;

REAL database, HAC 25

Description

460M compounds, CXSMILES

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REAL database, HAC 26 Part 1

Description

330M compounds, CXSMILES

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REAL database, HAC 26 Part 2

Description

319M compounds, CXSMILES

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&nsbp;

REAL database, HAC 27 Part 1

Description

456M compounds, CXSMILES

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REAL database, HAC 27 Part 2

Description

448M compounds, CXSMILES

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&nsbp;

REAL database, HAC 28 Part 1

Description

559M compounds, CXSMILES

Download file

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REAL database, HAC 28 Part 2

Description

552M compounds,CXSMILES

Download file

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REAL database, HAC 29-38 Part 1

Description

658M compounds, CXSMILES

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REAL database, HAC 29-38 Part 2

Description

648M compounds, CXSMILES

Download file

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Get more details

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 compound libraries, 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.

REAL compounds

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