Table 2.

ADMET properties of the selected compounds *.

S. No.	Molecule	BBB Perme Ant	PPB	HIA	TPSA	Log S	Skin Permea Bility	CYP2D6 Inhibitor	Carcinogenicity
1.	RHC80267©	No	88.69	89.79	101.38	−5.27	−3.40	No	NC
2.	ZINC85530916	No	100.00	94.70	117.84	−9.52	−2.49	No	NC
3.	ZINC85530919	No	100.00	94.70	117.84	−9.52	−2.49	No	NC
4.	ZINC85531411	No	92.38	97.27	112.27	−9.96	−1.69	No	NC
5.	ZINC85546197	No	97.26	96.06	86.99	−9.30	−1.02	No	NC
6.	ZINC85546208	No	95.88	95.90	86.99	−8.30	−1.48	No	NC
7.	ZINC85545357	No	90.33	94.84	129.39	−7.94	−3.14	No	NC
8.	ZINC85545857	No	97.47	90.39	118.22	−9.05	−2.51	No	NC
9.	ZINC85530320	No	91.92	98.24	124.8	−7.32	−2.00	No	NC
10.	ZINC95914464	No	89.91	99.27	110.5	−5.52	−4.20	No	NC
11.	ZINC95914660	No	69.28	94.49	62.28	−8.69	−3.36	No	NC
12.	ZINC85569586	No	95.00	95.81	105.45	−6.59	−1.10	No	NC
13.	ZINC85570604	No	100.00	93.72	97.99	−7.96	−3.27	No	NC
14	ZINC85570874	No	96.46	94.37	133.38	−9.87	−1.03	No	NC

* BBB (Blood brain barrier) penetration ability, PPB (Plasma protein binding): >85% is strongly bound, HIA (Human intestinal absorption): 70–100% is for well absorbed compounds, PSA (Polar surface area): ≤90 Ų is the optimum value, LogS: water solubility, and NC (Non-carcinogen). © symbol denoted as control inhibitor compound. ADMET values predicted using SwissADME (http://www.swissadme.ch/, accessed on: 23 June 2018) and PreADMET (https://preadmet.bmdrc.kr/, accessed on: 25 June 2018). Carcinogenicity was predicted using CarcinoPred-EL (http://ccsipb.lnu.edu.cn/toxicity/CarcinoPred-EL/, accessed on: 25 June 2018).