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. 2021 Aug 7;9(1):49. doi: 10.1007/s40203-021-00109-7

Table 3.

Drug-likeness properties (Lipinski’s rule of five) of investigated natural products and reference compounds as predicted by QikProp

s/n Name mol_MWa donorHBc donorHBd QPlogPo/wb RuleOfFivee
1 STOCK1N-98687 452.463 4.25 9 0.946 0
2 STOCK1N-89003 487.465 3 9.75 1.542 0
3 STOCK1N-84615 420.381 5 8 0.35 0
4 STOCK1N-84519 365.342 2 8.25 0.672 0
5 STOCK1N-92347 492.576 1 5.75 6.224 1
6 STOCK1N-94719 489.481 4 9.7 2.135 0
7 Lopinavir 628.81 4 9.45 5.608 2
8 STOCK1N-98135 416.473 3.25 8.25 1.469 0
9 STOCK1N-80093 456.451 5 13.5 0.465 0
10 STOCK1N-93501 493.564 1 6 5.894 1
11 Ivermectin 730.977 1 11.75 7.484 2

aMolecular weight of the molecule (Range 130.0 to 725.0)

bPredicted octanol/water partition coefficient. (Range − 2.0 to 6.5)

cNumberof hydrogen bond donors (Range 0.0 to 6.0)

dNumber of hydrogen bond acceptors (Range 2.0 to20.0)

eNumber of violations of Lipinski’s rule of five (Range maximum is 4)