MedChem Designer™ is a complimentary chemical sketching software tool designed for chemists involved in designing new compounds across various applications, including pharmaceutical, cosmetic, industrial chemical, herbicide, pesticide, and food industries. It offers an intuitive interface that integrates advanced molecule drawing capabilities with rapid and precise ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) property predictions, leveraging technology from the top-ranked ADMET Predictor® software. Key predictions include logP, logD(7.4), Polar Surface Area, and Lipinski’s Rule of 5 calculation, assisting users with lead selection and optimization activities. The software provides a comprehensive set of features for sketching, editing, and exporting chemical structures. Users can easily extend structures, modify atom types and charges, and manipulate bond geometries. It supports the creation of complex structures with features like wedge bonds, long straight or "hex" bonds for macrocycles, and aromatic/saturated ring templates. The ability to create custom templates and modify bond/torsional angles of side chains enhances flexibility. Furthermore, MedChem Designer includes convenient tools for structure cleanup, atom/molecule removal, and advanced editing functionalities such as reaction mapping, OSR (Optimal Structure Representation), and torsional/rotatable bond manipulation. Structures and associated property data can be seamlessly exported in Excel format for further analysis and reporting.

Features & Benefits

• ADMET Property Prediction
  • Provides fast and accurate predictions of key ADMET properties from ADMET Predictor® software.
  • logP
  • logD(7.4)
  • Polar Surface Area
  • Lipinski’s Rule of 5 calculation
• Intuitive Chemical Sketching
  • Offers innovative molecule drawing features with a highly intuitive interface, including convenience features not found in other software.
  • Extend structure with a single bond
  • Change atom type by typing over an atom
  • Modify formal charge
  • Wedge bonds for 3D representation
  • Long straight or “hex” bonds for macrocycles
  • Aromatic and saturated ring templates
  • Ability to create custom templates
  • Modify bond and torsional angles of side chains
• Structure Editing & Cleanup
  • Includes tools for precise modification and cleanup of chemical structures.
  • Convenient structure-cleanup feature
  • Eraser for individual or multiple atoms
  • Torsional bond rotation tool to "flip" bonds
  • Rotatable bond tool
  • Cleanup tool to modify bond lengths and angles of selected or whole molecules
• Reaction Mapping Tool
  • Assists in mapping chemical reactions within the software.
• OSR Tool
  • Provides Optimal Structure Representation capabilities.
• Data Export
  • Allows structures and property data to be exported in Excel format.