Outils Connexes

Calculatrice de descripteurs moléculaires

Convertisseur de structure

Éditeur de structure chimique

Générateur de conformères 3D

Générez et visualisez des conformations moléculaires 3D à partir de la notation SMILES. Cet outil vous aide à explorer les différentes dispositions 3D possibles de vos molécules.

Entrez la notation SMILES de la molécule. Exemples :
  • CC(=O)O: Acide acétique
  • c1ccccc1: Benzène
  • CC(OH)=O: Acide acétique (alternative)
  • CCO: Éthanol

Method, source and limitations

Method version: rdkit-conformer-2.0
Calculation method
Seeded 3D embedding followed by MMFF94s optimization, with UFF fallback.
Data source
RDKit distance geometry and force fields.
Assumptions and limitations
Generated conformers are computational candidates, not experimental geometries or binding poses.
Verification example
Generate several conformers and compare only energies produced by the same force field.

Educational Model · Last validated: 2026-07-28

Result guidance

How does this tool calculate the result?

Seeded 3D embedding followed by MMFF94s optimization, with UFF fallback.

How should I interpret the result?

Generated conformers are computational candidates, not experimental geometries or binding poses.

How can I verify the result?

Generate several conformers and compare only energies produced by the same force field.