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Table 1 Rule-based filters for drugs and pesticides

From: Quantitative estimation of pesticide-likeness for agrochemical discovery

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

  1. *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.
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Journal of Cheminformatics

ISSN: 1758-2946

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