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. 2014 Sep 12;6:42. doi: 10.1186/s13321-014-0042-6

Table 1.

Rule-based filters for drugs and pesticides

Rule Lipinski Tice Hao
Class Drugs Herbicides Insecticides Pesticides
MW ≤ 500 150 – 500 150 – 500 ≤ 435
MLogP(*CLogP) ≤ 5 ≤ 3.5 0 - 5 ≤ 6*
HBD ≤ 5 ≤ 3 ≤ 2 ≤ 2
HBA ≤ 10 2 - 12 1 – 8 ≤ 6
RB - < 12 < 12 ≤ 9
aromatic bonds - - - ≤ 17

*MLogP [15] values were computed for Lipiniski's [3] and Tice's [11] rules and CLogP [16] values for Hao's [14] according to the original publications.