Development of Novel In Silico Model to Predict Corneal Permeability for Congeneric Drugs: A QSPR Approach

Table 4

Determination of various molecular descriptors used in Model 1, and 2 along with permeability coefficient (logPC) derived using algorithms (1) and (3) for all fluoroquinolones.

Fluoroquinolones	ΔlogP (Cyclohexane-Octanol)	logD	logPC^$	QH	Q^2H	QO,N	Molecular Volume	logPC^#
Norfloxacin	0.051	−0.493	−3.752	0.876	0.767	−2.954	110.375	−5.540
Ciprofloxacin HCl	−0.358	−0.963	−3.653	0.848	0.719	−2.750	108.000	−5.388
Lomefloxacin HCl	1.113	0.182	−4.086	0.847	0.717	−2.577	113.635	−5.412
Ofloxacin	0.759	−0.290	−4.009	0.461	0.212	−2.567	121.375	−3.781
Levofloxacin	0.734	−0.186	−3.985	0.461	0.212	−2.567	121.375	−3.781
Sparfloxacin	1.025	0.174	−4.052	1.648	2.715	−3.704	125.875	−13.946
Pefloxacin mesylate	0.709	−0.095	−3.962	0.472	0.223	−2.321	113.375	−3.836
Gatifloxacin	0.526	−0.399	−3.931	0.815	0.663	−2.697	123.125	−5.203
Moxifloxacin	0.908	−0.272	−4.067	0.821	0.674	−2.774	130.750	−5.239

^$logPC derived from algorithm (1) from Model 1; ^#logPC derived from algorithm (3) from Model 2.