MOL to SMILES

Extract canonical SMILES strings from MDL MOL ligand files for cheminformatics workflows.

Docs

Input

Ligand

0/10 sequences

10 credits

Output

Configure input settings on the left, then click "Submit job"

Related tools

InChI to SMILES

Convert InChI strings into SMILES with batch support and downloadable outputs.

MOL2 to SMILES

Convert MOL2 ligand files into SMILES strings for registration, filtering, and downstream analysis.

SDF to SMILES

Convert SDF ligand files, including multi-record batches, into SMILES strings.

SMILES to InChI

Convert SMILES strings into InChI strings with batch support and downloadable outputs.

SMILES to MOL2

Convert SMILES strings into 3D MOL2 files for docking and molecular modeling workflows.

SMILES to PDB

Convert SMILES strings into 3D PDB files for molecular visualization and downstream docking preparation.

SMILES to SDF

Convert single SMILES strings or small batches into 3D SDF files with downloadable per-entry files and a combined batch output.

Open Babel

Run Open Babel in the browser to convert chemical and structure files, with coordinate, hydrogen, and pH options where the WASM runtime supports them.

PDB to SDF Converter

Convert Protein Data Bank files to Structure Data Format

SDF to PDB Converter

Convert Structure Data Format files to Protein Data Bank format