Tutorials

Short step-by-step guides to get the most out of Visual SmallMol. Start with Molecular Properties or SMILES to 3D, then try Batch SMILES for multiple molecules.

• Molecular Properties (MW, logP, TPSA, Lipinski)

  Enter a SMILES string (e.g. CCO for ethanol or CC(=O)Oc1ccccc1C(=O)O for aspirin). Get molecular weight, logP, TPSA, Lipinski rule of five, rotatable bonds, and formula. Download a PDF report for your records or publications. Use this for single-molecule checks and drug-likeness assessment.

• Batch SMILES

  Paste or enter multiple SMILES (one per line). The tool computes properties for each and shows a table. Download the table as CSV for further analysis, or generate a ZIP of PDF reports (one per molecule). Use this for screening sets, comparing compounds, or archiving results.

• SMILES to 3D

  Enter a SMILES string to generate a 3D structure in the browser. Rotate (drag), zoom (scroll), and use the sidebar to export the structure as PDB or PNG. For publication or external software, download coordinates and cite the method. For your own files, use SDF Upload to load SDF or PDB and export from there.

• SMILES Validator

  Paste a SMILES string to validate syntax and see the structure. Useful for checking SMILES before running Molecular Properties or Batch SMILES. The same page offers unit conversions (mcg ↔ mg, etc.) for lab use.

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