Table 5.

ADMET evaluation of the ligands to analyse their biological activities

Ligands	Absorption			Distribution			Metabolism		Excretion		Toxicity
	Log Papp CaCO2	Human intestinal absorption	F30% availability	Plasma protein binding	Blood–brain barrier	Volume distribution	CYP450 1A2 inhibitor	CYP450 3A4 inhibitor	T1/2 (half-life)	Clearance	Human hepatotoxicity	Mutagenicity	LD50 (mg/kg)	Skin sensitization
Aloe	5.126	0.449	0.554	74.04	0.455	0.879	0.715	0.248	0.94	1.468	0.866	0.928	2.78	0.327
Azadirachtin	5.714	0.45	0.334	50.32	0.106	0.113	0.086	0.775	2.045	1.369	0.032	0.274	3.73	0.26
Cirsilineol	5.068	0.608	0.463	84.73	0.494	0.443	0.787	0.703	1.769	1.851	0.676	0.27	2.81	0.21
Columbin	4.771	0.616	0.476	74.83	0.744	0.208	0.093	0.318	1.296	1.778	0.592	0.248	3.19	0.304
Nimbiol	4.601	0.848	0.574	85.75	0.965	0.567	0.175	0.316	1.78	1.817	0.448	0.074	2.41	0.486
Nimbocinol	4.885	0.774	0.476	88.1	0.921	0.004	0.065	0.5	1.696	1.872	0.514	0.14	3.57	0.39
Sage	4.846	0.784	0.376	80.91	0.83	0.001	0.099	0.206	2.118	1.402	0.544	0.3	3.21	0.381