Drug

If a molecule is effective as a drug after administering it orally, in general it satisfies common conditions, which include molecular weight, number of hydrogen bond donor, number of hydrogen bond acceptor, and logP.

This is obtained by translating Lipinski’s rule into digitized values. If satisfying at least 3 of 4 conditions that Lipinski proposed, Lipinski alert index is displayed to be zero (0). This means that the substance is highly probable to become an orally active drug. Also, if not satisfying more than 2 of 4 conditions, the index is displayed as one (1). This means that the substance is less probable to become an orally active drug.

In consideration of common conditions that a drug is supposed to satisfy, finally 6 criteria were determined, classifying the possibility for a substance to become a drug into 3 phases.

Drug : It means that it is highly probable to become a drug meeting at least 5 of 6 conditions.

Mid : It means that it satisfies 3-4 of 6 conditions, but is still short to be classified as a drug.

Non-Drug : It means that it is not likely to become a drug, only satisfying 2 or fewer of 6 conditions.