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Chapter – 6 Biological evaluation of newly.....
(Solubility values are estimated applying an atom type based increment
system. Atom type is 64 bit numbers describing atoms and their near
surrounding.)
6.3.3 Molecular Weight
Optimizing compounds for high activity on a biological target almost
often goes along with increased molecular weights. However, compounds
with higher weights are less likely to be absorbed and therefore to ever reach
the place of action. Thus, trying to keep molecular weights as low as possible
should be the desire of every drug forger. The diagram shows that more than
80 % of all traded drugs have a molecular weight below 550.
Molecular weight of C30H18Cl2N4O3 = 553.0 gm/mol
6.3.4 Drug Likeness
In the field of drug design, virtual screening is widely used for
discovering novel lead candidates. By exploring virtual technology,
compounds having certain activities for target would be found out efficiently.
One of the most important factors for the success of virtual screening is drug
likeness. Thus the reliable methodologies to construct high quality database
Department of Chemistry, Saurashtra University, Rajkot – 360 005 344