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MMsINC Molecule Summary

The molecule summary page describes all main molecule issues and shows links to all its resources. You can access this page by clicking on a 2D image in any search result, or by specifying its MMs code directly in the page URL.

Each molecule in the MMsINC database is identified by a unique code, that is composed by the 'MMs' string and then a progressive number. For example, in the first release, the code of the molecules in our database started at MMs00000001 and went up to MMs03967056. To directly load a molecule page you should use a URL like this one into your web browser:

http://mmsinc.undo.it/mmsinc/search.dev/molecule.php?mmscode=MMs00000002

The main information shown for the molecules consists of: The MMs Code and the name of the molecule, the type (whether the molecule is neutral, a ion or a tautomer), the molecular formula, chemical SMILES and INCHI. The page also shows the 2D and 3D rotating image of the molecule. The 3D image is shown using a java applet. By clicking with the right button of mouse over the image you can choose various display options like colors, zoom, and rotation. From the molecule page you can access the "Similarity to PDB Ligands" page. It is also possible to download the molecule SDF file and the 2D and 3D molfiles,

Molfiles 2D and 3D are files that textually describe the structure of the molecule with atom coordinates. The SDF Chemical table file appends to 3D molfile the molecular helplink for the molecule.

Molecule helplink are organized in property categories: physical, topological, surface and volumes, pharmacophoric, drug - and lead - like. Another descriptor, the potential energy expressed in Kcal/mol is instead shown at the bottom of the 3D molecule JAVA applet. Under the helplink list there is a link that sends the user to the NCBI PubChem search page for the same molecule. In the molecule's image you can also see a list of molecules related to it.

Since a molecule can be neutral, a tautomer or ion, some molecules are linked to each other. For neutral molecules MMsINC shows (as you see under the descriptor section) all ions and tautometers; for the others it shows its neutral related molecule.

MMsInc's policy does not allow the use of any program/robot to automatically download information. You can freely make searches, and take information about all molecules in our database, but (for the time being) you are not authorized to launch scripts for total or partial download of MMsINC. For this reason, sometimes you'll be asked to insert a code that you'll see on the screen (captcha). All activities in MMsINC database are logged. Anomalies are promptly reported. Developers can deny access to the database from a specific IP or network.