Table 4.

The ADME profile of the top 10 screened compounds from in silico study.

Compound Name	Mol MW	QP log S	QPlog HERG	QP logBB	QP logKp	Human Oral Absorption	PSA	Rule of Five	Rule of Three
2_3-Diphenyl-cyclopropyl_methyl_phynyl_sulphoxide	334.475	−6.383	−7.067	−0.098	−0.015	1	22.198	1	1
2_5-Dimethyl_1_H_Pyrole	95.144	−1.294	−3.272	0.409	−1.531	3	13.376	0	0
Benzonitrile m-phenethyl_	207.274	−4.377	−5.625	−0.338	−1.199	3	25.794	0	0
1_2_Benzenedicarboxylic_acid_butyl_2_methyl_propyl_ester_	278.347	−3.72	−4.639	−0.509	−1.627	3	59.025	0	0
1_2_propandiol_3_Benzyloxy-1_2-diacetyl	266.293	−3.48	−5.666	−1.05	−2.278	3	82.474	0	0
1_5_Anhydroglucitol	452.885	−9.082	−3.767	−0.665	0.425	1	29.45	0	1
1-Tetradecene	198.391	−8.903	−4.774	1.39	3.531	1	0	1	1
2-_Aziridinylethil_amine	86.136	0.773	−3.361	0.19	−4.713	3	36.217	0	0
2_2_Dimethoxybutane	118.175	−1.593	−2.49	0.168	−1.581	3	14.033	0	0
2_3-Butanediol	90.122	0.357	−2.401	−0.198	−2.669	3	40.098	0	0