Table 3.

In silico ADME and drug-likeness properties of the selected compounds.

Compound	% Human Oral Absorption a	QPlogHERG b	QPlogBB c	QPlogKhsa d	Ro5 e
6a	91	−5.3	−0.594	−0.093	0
6b	100	−5.235	−0.351	0.142	0
6c	93	−5.169	−0.487	−0.056	0
6d	71	−5.211	−1.744	−0.117	0
6e	100	−5.661	−0.371	0.363	0
6f	100	−5.094	−0.378	0.184	0
6g	100	−5.119	−0.369	0.205	0
6h	100	−5.062	−0.425	0.116	0
6i	100	−5.748	−0.648	0.458	0
6j	100	−5.695	−0.48	0.313	0
6k	100	−5.854	−0.865	0.382	0
6l	100	−5.809	−0.634	0.203	0
6m	100	−5.725	−0.477	0.337	0
6n	100	−5.676	−0.529	0.243	0
6o	100	−5.884	−0.831	0.433	0
6p	91	−5.904	−0.822	0.456	1
6q	100	−5.851	−0.843	0.427	0
6r	100	−6.077	−0.863	0.637	1
6s	83	−6.212	−0.904	0.695	2
6t	96	−6.049	−0.908	0.563	1
6u	95	−5.776	−0.319	0.511	1
6v	100	−5.736	−0.459	0.303	0
6w	100	−5.777	−0.402	0.396	0
6x	100	−5.749	−0.593	0.414	0
6y	100	−5.753	−0.409	0.374	0

^a % Human Oral Absorption: Predicted human absorption on 0 to 100% scale (recommended: >80% is good and <25% is poor). ^b QPlog HERG: Predicted IC₅₀ values for blockage of HERG K⁺ channels (below −5 is a concern). ^c QPlogBB: Predicted brain–blood partition coefficient (recommended: −3.0–1.2 range). ^d QPlogKhsa: Prediction of binding to human serum albumin (recommended: −1.5–1.5 range). ^e Ro5: Number of violations of Lipinski’s rule (recommended: a maximum of four violations).