ACD/ChemSketch

ACD/ChemSketch is a chemically intelligent drawing interface that allows you to draw almost any chemical structure including organics, organometallics, polymers, and Markush structures. Following is the six highlights of this software :

1. Draw structures, reactions, and schema (e.g., biotransformation maps)
2. Generate IUPAC systematic names for molecules of up to 50 atoms and 3 ring structures
3. Predict molecular properties for individual structures (molecular weight, formula weight, density, logP, etc.)
4. Search for structures in the built-in dictionary of over 170,000 systematic, trivial, and trade names
5. Create professional reports, working with structures, text, and graphics simultaneously
6. Import and export structure files in a variety of standard file formats

 

 

 

List of Features :

 

Drawing

• Generate structures from InChI and SMILES strings
• Draw Markush structures (generic view), structures with delocalization, and polymers
• Create special Markush structures with added or removed mass fragments, to describe metabolic and mass-spectral transformations
• Depict reactions by drawing, importing, mapping atom-atom transformation, and editing reaction conditions
• Apply powerful 3D and 2D rotation, and move/resize features
• Display a 3D structure as stick, ball-and-stick, spheres, or disks

Structure Searching

• Search for chemical structures in various file formats throughout your computer's file systems. (SK2; MOL; SDF; SKC; CHM; CDX; RXN; Adobe PDF; Microsoft Office DOC, XLS, PPT; and ACD/Labs databases CFD). Search for compounds in the Dictionary by a variety of identifiers including: Chemical name, either systematic or non-systematic; Trade or registered name (INN, USAN, BAN, JAN); CAS registry and EU numbers; Abbreviations, drug codes, and others
• Search using full or partial structures

Chemistry

• Choose from a wide range of special bond types including aromatic, delocalized, undefined single and double stereo, quadruple, and coordination bonds
• Automatically assign hydrogen atoms and charges to fill valence
• Instantly display chemical formula, molecular weight, percentage composition, and estimated macroscopic properties such as molar refractivity, refractive index, molar volume, density, and parachor
• Look up elements on the Expanded Periodic Table of Elements which includes physical properties, NMR properties, isotope composition, and images of elements in their natural form
• Draw reactions and complex chemical schemes with manual or automatic mapping
• Calculate quantities for chemical reactions and solutions
• View all the suggested tautomeric forms for your structure
• Check if a structure is an enzyme inhibitor and what enzymes are inhibited by it
• Take into account or ignore configuration of stereocenters or double bonds

Reporting

• Create professional chemistry-related reports and presentations
• Export your ChemSketch files to a variety of file formats
• Cut and paste structures and chemical information directly into Windows applications and maintain OLE links
• Create animated GIF files using the 3D Viewer
• Create templates for generating reports from other ACD/Labs products, defined by rules or company standards

Convenient Interface Design

• Customize display properties such as atom numbering, chemical symbols, and valence
• Work with structures, text, and graphics simultaneously
• Save and load object styles

for more information please visit : http://www.acdlabs.com/products/draw_nom/draw/chemsketch/index.php