Table 7.

In silico Toxicity Prediction of Compounds (8–16) and Amoxicillin Using AdmetSAR and Pro Tox-II Online Servers

Compound	In Silico Pharmacodynamics (Toxicity)
	Mutagenic	Tumorigenic	Irritant	Carcinogenicity	Ames Toxicity	Hepatotoxicity	Skin Sensitization	Rat Acute Toxicity (LD50; mol/kg)a
8	Active	Active	−0.9185	−0.7628	−0.6800	−0.5040	−0.8228	III 0.5884
9	Active	Active	−0.8995	−0.7828	−0.7700	+0.5072	−0.8100	III 0.5871
10	Inactive	Inactive	−0.6400	−0.7928	−0.5700	+0.5264	−0.8903	III 0.6840
11	Active	Inactive	+0.6366	−0.8128	−0.6000	+0.5251	−0.8883	III 0.5457
12	Active	Active	−0.8660	−0.7012	+0.7500	+0.5625	−0.8225	III 0.5803
13	Inactive	Inactive	−0.8495	−0.9000	+0.5100	−0.6375	−0.8314	III 0.6147
14	Inactive	Inactive	−0.7894	−0.9300	−0.5500	−0.5625	−0.8340	III 0.5783
15	Inactive	Inactive	−0.9478	−0.6607	+0.5800	+0.6625	−0.8544	III 0.6763
16	Inactive	Inactive	−0.9497	−0.7800	−0.7400	−0.6125	−0.8819	III 0.7078
Amoxicillin	Active	Inactive	−0.9872	+0.6977	−0.9600	+0.9875	−0.7693	IV 0.5992
Acarbose	Active	Active	−0.9391	−0.9800	+0.5800	+0.7573	−0.8755	IV0.5397

Note: ^aLD₅₀: lethal dose parameter.