Deciphering the Pharmacological Potentials of Methanol Extract of Sterculia foetida Seeds Using Experimental and Computational Approaches

Table 3

Physicochemical properties of the compounds, demonstrating good oral bioavailability.

Compound	MW	HBA	HBD	LogP	AMR	nRB	TPSA	Lipinski’s violations
Rule	<500	<5	≤10	≤5	40–130	≤10	≤140	≤1
Acetamiprid	222.67 g/mol	3	0	1.64	59.77	3	52.28 Å^2	0
Alpha-BHC	290.8 g/mol	0	0	3.39	57.62	0	0	0
Tetradecanoic acid, methyl ester	242.4 g/mol	2	0	4.81	75.50	13	26.30 Å^2	0
Terbufos	288.4 g/mol	2	0	3.72	78.34	8	110.96 Å^2	0
Benfuresate	256.32 g/mol	4	0	2.51	65.55	3	60.98 Å^2	0
Dichlofluanid	333.2 g/mol	4	0	2.73	74.59	5	74.30 Å^2	0
DEP (trichlorfon)	257.43 g/mol	4	1	1.10	47.76	4	65.57 Å^2	0
1-azuleneethanol, acetate	214.26 g/mol	2	0	2.95	63.74	4	26.30 Å^2	0
Captan	300.6 g/mol	2	0	2.26	69.90	2	62.68 Å^2	0
Etridiazole	247.5 g/mol	3	0	2.62	50.45	3	63.25 Å^2	0
Diethofencarb	267.32 g/mol	4	1	2.75	74.44	8	56.79 Å^2	0
Etobenzanid	340.2 g/mol	3	1	4.03	87.87	7	47.56 Å^2	0
Cyfluthrin	434.3 g/mol	0	5	5.22	108.92	7	59.32 Å^2	0
Cypermethrin	416.3 g/mol	4	0	4.96	108.97	7	59.32 Å^2	0
Pendimethalin	281.31 g/mol	4	1	2.41	82.55	6	103.67 Å^2	0
Kresoxim-methyl	313.3 g/mol	5	0	3.23	87.83	7	57.12 Å^2	0
Tetraconazole	372.14 g/mol	7	0	3.87	76.35	7	39.94 Å^2	0
Pyributicarb	330.4 g/mol	3	0	4.09	98.01	6	66.68 Å^2	0

MW = molecular weight (g/mol); HBA = hydrogen bond acceptor; HBD = hydrogen bond donor; LogP = lipophilicity; AMR = molar refractivity; nRB = number of rotatable bonds; TPSA = topological polar surface area.