SMILES → 3D SDF Converter

Loading RDKit… Official RDKit WebAssembly · ETKDGv3 distance geometry + MMFF94/UFF · fully client-side
Drop a .smi / .txt file here (or click to choose)
Each line = one molecule. Lines starting with # are ignored. A trailing token after the SMILES becomes the molecule title.
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Method / reliability

Conversion is performed in the browser by the official RDKit compiled to WebAssembly, using the same algorithms as the Python rdkit package:

① parse SMILES with get_mol; ② AddHs to add explicit hydrogens; ③ EmbedMolecule with ETKDGv3 (experimental-torsion-corrected distance geometry) to generate 3D coordinates; ④ refine geometry with the MMFF94 or UFF force field, falling back to UFF when MMFF parameters are unavailable.

The WASM is compiled from RDKit source (Code/MinimalLib) with an added 3D binding. Chemically identical to native RDKit, not a heuristic approximation.