Molecules assessing druglike properties

Poor pharmacokinetics and toxicity are important causes of costly late-stage failures in drug development. It is generally recognized that, in addition to optimized potency and specificity, chemical libraries should also possess favorable ADME/Tox and druglike properties [77-80]. Assessment of druglike character is an attempt to decipher molecular features that are likely to lead to a successful in vivo and, ultimately, clinical candidate [81-83]. Many of these properties can be predicted before molecules are synthesized, purchased, or even tested in order to improve overall lead and library quality. 

A quantitative approach is already well established for assessing the druglike properties of a small molecule. Could such a quantitative approach be... 

H-bond donors and acceptors) and the potential to achieve physical properties consistent with acceptable oral absorption, and spurred many subsequent efforts to qualify druglike molecular properties. Further refinements, based on analyses of lead and corresponding drug molecules, led to the proposal of distinct lead-like molecular properties (e.g. MW < 300, Log P < and assessments of drug... 

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