|
|
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
|
