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. 2018 May 11;6:e4756. doi: 10.7717/peerj.4756

Table 3. ADMET and logP properties of 11 candidate drugs.

Name(ID) Solubility Level BBB Level Hepatotoxic Prediction Absorption Level PPB Prediction logP Targets
(3S)-1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-ol(5862) 3 2 FALSE 0 FALSE 4.578 AchE
(3S)-1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)- (6E)-6-hepten-3-ol(5863) 3 2 FALSE 0 FALSE 4.134 AchE,GABA(B), MGLUR
(3R)-1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-ol(5868) 3 2 FALSE 0 FALSE 4.578 GABA(B)
(3R)-1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)- (6E)-6-hepten-3-ol(5869) 3 2 FALSE 0 FALSE 4.134 AchE
pallidine(9593) 3 2 FALSE 0 FALSE 1.913 MAOB
4,5-di-o-caffeoyl,quinic,acid(10639) 3 2 FALSE 0 FALSE 3.477 PDE4
Anagyrine(16167) 3 1 FALSE 0 FALSE 2.053 AchE
Blestrin D(26629) 3 2 FALSE 0 FALSE 4.578 PLA2,QC,HDAC, JNK,GABA(B)
Dibothrioclinin II(28468) 4 2 FALSE 0 FALSE 1.222 Ftase,QC,HDAC, GLP-1R,AMPA
5,7-Dihydroxy-6,8-dimethyl-3-(4′-hydroxy-3′-methoxybenzyl)chroman-4-one(28814) 3 2 FALSE 0 FALSE 1.144 RAR
Glabroisoflavanone A(30713) 3 2 FALSE 0 FALSE 1.913 MAOA