Aurigene-AI/molecule-explorer

🧪 Molecule Explorer

Paste a SMILES string (or look a compound up by name via PubChem) and get, entirely in your browser:

• —a clean 2D depiction rendered by RDKit (WebAssembly),
• —physicochemical descriptors (MW, cLogP, TPSA, HBD/HBA, rotatable bonds, Fsp³, rings, stereocentres …),
• —drug-likeness rules: Lipinski, Veber, Ghose, Egan, Muegge, lead-likeness and the fragment Rule of 3,
• —an approximate QED score,
• —structural alerts (reactive / PAINS-like motifs) highlighted on the structure,
• —nearest approved drugs by Morgan-fingerprint Tanimoto similarity,
• —batch mode with CSV export.

No data leaves your machine — there is no backend. Built by Aurigene AI.