Table 7. Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) Predictions for the Synthesized Compounds 4(a-o) and Standard Drugs.

compounds	BBB levela	absorption levelb	hepatotoxicityc	CYP2D6d	PPBe	solubilityf	AlogP98g	PSA 2D
4a	1	0	0	0	true	–5.186	3.932	54.725
4b	1	0	0	1	true	–5.896	4.596	54.725
4c	2	0	0	0	false	–4.686	3.690	75.541
4d	1	0	0	0	true	–5.199	3.915	63.655
4e	1	0	0	0	true	–5.972	4.680	54.725
4f	4	0	0	0	true	–5.326	3.826	97.548
4g	4	0	0	0	true	–5.350	3.826	97.548
4h	1	0	0	1	true	–5.668	4.418	54.725
4i	1	0	0	0	true	–6.449	5.166	54.725
4j	2	0	0	0	true	–5.162	4.176	75.541
4k	4	0	0	0	true	–5.818	4.312	97.548
4l	2	0	0	0	true	–5.141	4.176	75.541
4m	1	0	0	1	true	–6.374	5.082	54.725
4n	1	0	0	0	true	–5.671	4.402	63.655
4o	4	0	0	0	true	–5.793	4.312	97.548
Alpidem	0	0	0	0	true	–6.455	5.729	37.262
Ciprofloxacin	3	0	0	0	false	–3.162	1.435	74.932
GSK812397	2	0	0	0	true	–3.910	2.621	58.743
minodronic acid	4	3	0	0	false	–1.462	0.098	155.288
miroprofen	2	0	0	0	true	–3.750	2.905	54.725
necopidem	0	0	0	0	true	–6.072	5.130	37.262
olprinone	3	0	0	0	false	–2.255	0.509	69.655
saripidem	1	0	0	0	true	–5.174	4.114	37.262
zolimidine	2	0	0	0	true	–3.812	2.304	51.210
zolpidem	1	0	0	0	true	–4.984	3.628	37.262

^a0, 1, 2, 3, and 4 denote very high, high, medium, low, and undefined, respectively.

^b0, 1, 2, and 3 denote good absorption, moderate absorption, low absorption, and very low absorption, respectively.

^c0 and 1 represent nontoxic and toxic, respectively.

^d0 and 1 denote noninhibitor and inhibitor, respectively.

^eTrue symbolizes binding, and false symbolizes nonbinding of the drug.

^f–6.0 to −4.0, −4.0 to −2.0, and −2.0 to 0.0 represents low, good, and optimal solubility, respectively.

^gAlogP98 > 5 indicates good absorption through BBB.