Wednesday, September 2, 2009

How Many Possible Ring Based Drug Molecules Are There?

That is the question behind this interesting post from In the Pipeline. The author points out a paper that thinks about some reasonable limitations on possible structures: the only elements allowed are carbon, oxygen, nitrogen, and sulfur - with hydrogens around the outside. Only 5 or six membered rings are allowed, and only one or two rings per molecule. So how many do you get? 23,985. How many of those have actually been made? Only 1701!!! How many more are practical to actually make? Maybe 3000.

It is fascinating to think that as sophisticated as synthetic chemistry has become, there is so much unexplored territory.

Posted by Michael Fuson

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