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SimLab Science

Molecule Studio

Find a molecule by name or PubChem CID, or paste a SMILES directly, and get its structure, molecular weight, logP, TPSA and Lipinski rule-of-five violations.

Search PubChem

Or paste a SMILES directly

Or upload an SDF / molfile

If the file has several molecules, only the first one is read.

Or draw a molecule

Sketch a structure by hand in the browser, then save it here like any other molecule.

Search your saved molecules by structure

A SMARTS pattern or a substructure SMILES - e.g. c1ccccc1 for a benzene ring, [OX2H] for a hydroxyl group.