Design, Synthesis, Characterization, and Computational Studies on Benzamide Substituted Mannich Bases as Novel, Potential Antibacterial Agents

Table 3

Calculation of various molecular properties of the synthesized benzamide substituted Mannich bases.

Compound	SAS^a (Å^2)	MS^b (Å^2)	CSEV^c (Å^3)	Ovality	MR^d (cm^3/mol)	MTI^e	WI^f	BI^g	MW^h	log 𝑃
1	448.081	228.85	191.50	1.4243	61.4384	3711	496	89200	220.273	1.0523
2	512.423	268.228	223.94	1.5040	42.9696	8354	1126	343784	305.36	1.484
3	538.939	291.721	262.45	1.4715	30.8167	9773	1244	354337	302.378	4.943
4	443.839	227.461	194.33	1.4019	63.1193	3795	496	89200	219.288	0.8303
5	464.20	234.624	187.75	1.4796	51.6276	4798	614	124234	226.278	2.7389
6	483.994	250.613	208.85	1.4721	48.2504	5338	727	164356	305.176	3.5678
7	470.56	247.467	212.78	1.4357	35.1809	6884	925	256945	271.277	—
Std.1*	580.224	331.272	320.88	1.4614	10.691	15459	2353	1046550	437.46	—
Std.2*	570.267	318.963	282.94	1.5303	9.792	13519	2039	748946	404.350	2.419

 ^aConnolly solvent accessible surface area. ^bConnolly molecular surface area. ^cConnolly solvent excluded volume. ^dMolar refractivity.
^eMolecular topological index. ^fWiener index. ^gBalaban index. ^hMolecular weight. Std.1*—cefixime, Std.2*—tosufloxacin tosylate.