MCSview

The fastest way to visualize maximum common substructures.

Align, visualize, and save the results in a few clicks.

Launch MCSview

2D Structure Alignment

Viewing a series of compounds aligned in 2D make it easier to visually compare compounds and identify common features (e.g., functional groups, scaffolds). This helps in understanding the structure-activity relationship (SAR), linking structural features to biological activity. In MCSview, a database with unaligned structures can be aligned to a core structure. During this process, the coordinates of the core structure remain unchanged.

Core-based 2D Structure Alignment
MCS highlighted in different colors

MCS Visualization

Highlighting the maximum common substructure (MCS) helps in systematically exploring how substituents around the core influence the compound's properties. By identifying the MCS, researchers can modify the substituents of a compound while preserving the essential core, aiming to improve properties like potency, selectivity or pharmacokinetics. MCSview can display the images of the structures with the MCS highlighted with custom colors.

Output Options

  • Save an Excel file containing the images of both non-highlighted and highlighted aligned structures.
  • Save the aligned database structures as an SDF file.
  • Save the images of aligned structures as individual SVG files.
  • Save the images of highlighted structures as individual SVG files.
Different outputoptions

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