TABLE 9.

Excretion, Toxicology and Drug-likeliness profile of the selected compounds that showed the best interaction against these receptors.

Properties	Excretion		Toxicity										Drug-likeness
Compounds	Total Clearance (log mL/min/kg)	Renal OCT2 substrate	AMES toxicity	Max. Tolerated dose (human) (log mg/kg/day)	hERG I inhibitor	hERG II inhibitor	Oral rat acute toxicity (LD50) (mol/kg)	Oral rat chronic toxicity (LOAEL) (log mg/kg_bw/day)	Hepatotoxicity	Skin Sensitisation	T.Pyriformis toxicity (log ug/L)	Minnow toxicity (log mM)	Lipinski’s rule of five	Bioavailability score (%)
C2	0.208	No	No	0.507	No	No	1.66	2.271	No	Yes	0.347	1.425	No; 1 violation: MW < 250	0.55
C4	0.267	No	No	0.551	No	No	2.083	2.108	Yes	Yes	0.632	0.986	No; 1 violation: MW < 250	0.55
C8	0.805	No	No	0.493	No	No	2.171	1.484	No	Yes	1.435	0.126	No; 2 violations: MW < 250, XLOGP3>3.5	0.55
C9	0.781	No	No	0.409	No	No	2.346	1.736	No	Yes	1.667	−0.108	No; 2 violations: MW < 250, XLOGP3>3.5	0.55
C12	1.448	No	No	0.057	No	No	3.202	−0.064	No	Yes	2.314	−0.069	No; 2 violations: Rotors>7, XLOGP3>3.5	0.55
C14	2.032	No	No	−0.019	No	No	1.617	3.004	No	Yes	1.603	−1.6	No; 2 violations: Rotors>7, XLOGP3>3.5	0.55
C18	1.964	No	No	1.246	No	Yes	1.305	2.731	No	No	0.683	−3.04	No; 3 violations: MW > 350, Rotors>7, XLOGP3>3.5	0.55
C19	0.72	No	Yes	0.207	Yes	Yes	2.214	1.536	No	Yes	0.46	−1.964	No; 1 violation: XLOGP3>3.5	0.55
C21	1.644	No	No	0.19	No	Yes	1.556	1.169	No	Yes	1.333	−2.393	No; 2 violations: Rotors>7, XLOGP3>3.5	0.55
C23	1.652	No	No	1.112	No	Yes	1.249	2.695	No	No	0.664	−3.429	No; 3 violations: MW > 350, Rotors>7, XLOGP3>3.5	0.55
C37	1.472	No	No	0.545	No	No	1.589	1.417	No	Yes	2.076	−0.592	No; 2 violations: MW < 250, XLOGP3>3.5	0.55
C45	1.61	No	No	0.2	No	Yes	1.502	1.275	No	Yes	1.811	−1.703	No; 2 violations: Rotors>7, XLOGP3>3.5	0.55