Table 1.

Molecular properties and conditions used to determine compound subsets

Molecular properties	Conditions
Drug-like	MW ≤ 500 & MW ≥ 150 & logP ≤ 5 & nHD ≤ 5 & nHA ≤ 10
Extended drug-like	Druglike & nRot ≤ 7 & TPSA < 150
Lead-like	MW ≥ 250 & MW ≤ 350 & nRot ≤ 7 & logP ≤ 3.5
Fragment-like	nHA ≥ 3 & MW ≤ 300 & nHD ≤ 3 & logP ≤ 3
PPI-like	nRing ≥ 4 & MW > 400 & nHA > 4 & logP > 4

MW  Molecular weight, logP lipophilicity, nHA  number of hydrogen bond acceptor, nHD  number of hydrogen bond donor, TPSA  total polar surface area, nRot number of rotatable bonds and nRing number of rings