The Molecular Knowledge Systems structure editor, i.e., the MKS Structure Editor, is a simple tool for generating SMILES strings and Mol Files from a drawn molecular structure. These generated outputs can be used in a variety of chemical calculation tools including those provided by the phsicalproperties.ai MCP server.
To use the MKS Structure Editor, begin by selecting "Atom" mode, select an element, and begin clicking the left mouse button on the editor's canvas. Then change to "Bond" mode, select a bond type, and begin clicking the left mouse button on pairs of atoms. View the linked Demo Video for further instructions.
Click on any of the following chemicals to insert its molecular structure into the editor. (It is often easier to insert an example chemical's molecular structure into the editor and modify it than to start entering a molecular structure from scratch.) Note that you can add multiple example structures into the editor by: 1) clicking on a chemical name below; using the "Move All" mode to move all atoms away from the insert point; 3) clicking again on an example chemical's name.