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Molecular Editor

Draw and Edit Chemical Compounds.

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  • 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
  • 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.

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