1. ADMET

1. LogD
2. LogP
3. Aqeous solubility
4. Clearance
5. hERg
6. Metabolism of drugs

2. Biological Pathway

1. Metabolic Pathway

ADMET:stands for Absorption, Distribution, Metabolism, Excretion, Toxicity

The prediction of the ADMET properties plays an important role in the drug design process because these properties account for the failure of about 60% of all drugs in the clinical phases. Where traditionally ADME tools were applied at the end of the drug development pipeline, nowadays ADME is applied at an early phase of the drug development process, in order to remove molecules with poor ADME properties from the drug development pipeline and leads to significant savings in research and development costs.

Druglikeness may be defined as a complex balance of various molecular properties and structure features which determine whether particular molecule is similar to the known drugs. These properties, mainly hydrophobicity, electronic distribution, hydrogen bonding characteristics, molecule size and flexibility and of course presence of various pharmacophoric features influence the behavior of molecule in a living organism, including bioavailability, transport properties, affinity to proteins, reactivity, toxicity, metabolic stability and many others.

The diversity of possible drug targets (of which each requires a different combination of matching molecular characteristics) is so enormous, that it is possible to find a common denominator for all of them and to express molecule drug-likeness by a single "magic number". Simple count criteria (like limits for molecular weight, logP, or number of hydrogen bond donors or acceptors) have also relatively limited applicability and are useful only to discard obvious non-drugs.