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Local Compound Explorer

Your molecular data stays in your browser.

How to use this page

  1. Load the sample dataset, paste SMILES, or drop a CSV / SDF / .smi file.
  2. Filter, sort, or run a similarity search against a reference structure.
  3. Export the current view as CSV.

Supported formats: CSV (auto-detects a SMILES/name column), SDF (single or multi-record, capped at 1,024 records or ~1 MB, whichever comes first), .smi/newline-separated SMILES, or pasted text. Comfortable up to a few hundred records; a hard display cap of 2,000 applies beyond that.

Filters

Similarity search

StructureNameFormulaMWLogP TPSAHBDHBARot. bondsQED LipinskiPAINSSimilarity