Molecular Editor

Draw and Edit Chemical Compounds.

Click to enlarge image.

• Keyboard shortcuts are available for fast molecular sketching.
• A variety of fully-customizable templates are provided to speed up chemical drawing including:

• Bonds and atoms
• Amino acids
• Bases
• Bicyclics
• Rings
• Dictionary of drug compounds

• Chemical properties are monitored on-the-fly as you sketch. Monitors are fully customizable but the default ones include:

• Chemical formula
• SMILES
• International Union of Pure and Applied Chemistry (IUPAC Name)
• Molecular Weight
• Number of Hydrogen Bond Acceptors
• Number of Hydrogen Bond Donors
• Number of Rotatable Bonds
• DrugLikeness
• Prediction model build for 'delta Hf in gas' property
• MolLogP
• Polar Surface Area
• MolLogS
• Volume
• Bad ADME-Tox Groups

• One click annotation, and highlighting of chemical groups, and bad groups.
• Assign stereocenters.
• Append molecules to chemical spreadsheets, edit chemical spreadsheets in molecular editor.
• Sketch 2D pharmacophores, Markush structures, and chemical reactions.
• Add text labels to structures.

Return to ICM-Chemist Main Page