Synthesis, Molecular Docking, MEP and SAR Analysis, ADME-Tox Predictions, and Antimicrobial Evaluation of Novel Mono- and Tetra-Alkylated Pyrazole and Triazole Ligands

Table 3

Physicochemical properties of the most potent antibacterial pyrazole derivatives and the antibiotic control streptomycin.

Entry	Physicochemical properties
	MW	Log P	H-don	H-acc	nrotb	TPSA (Å^2)
12	540.71	4.87	0	4	10	77.76
13	541.69	4.25	0	5	10	90.65
Streptomycin	581.578	−6.65	14	15	11	331.43

MW: molecular weight expressed in daltons. Log P: octanol/water partition coefficient characterizing lipophilicity. H-don: number of hydrogen bond donors. H-acc: number of hydrogen bond acceptors. nrotb: number of rotable bonds. TPSA: total polar surface area.