Table 2: ADME and pharmacological parameters prediction for the ligands substituted 2-(1-furan-2-yl)-4-(5-phenyl-4H-1,2,4-triazol-3-yl) quinoline using ADMET/SAR.

Ligands PlogBBa PCacob logHIAc logpGI (Non-Substrate)d logpGI (Non-Inhibitor)e PlogSf logpappg
7a 0.9835 0.5000 1.0000 0.8668 0.9113 -3.0191 1.3623
7b 0.9835 0.5000 1.0000 0.8668 0.9113 -3.0191 1.3623
7c 0.9867 0.5053 1.0000 0.8623 0.9033 -2.9650 1.3260
7d 0.9850 0.5440 1.0000 0.8667 0.8749 -3.5746 1.5276
7e 0.9751 0.5276 1.0000 0.7918 0.8490 -3.4071 1.4645
7f 0.9037 0.5989 1.0000 0.8280 0.6705 -3.5041 1.4564
7g 0.9400 0.5597 1.0000 0.7963 0.7894 -3.8666 1.3829
7h 0.8150 0.5166 1.0000 0.8118 0.8213 -3.5165 1.3111
7i 0.9238 0.5394 1.0000 0.8096 0.8990 -3.6950 1.6543
7j 0.9789 0.5096 1.0000 0.8660 0.9316 -2.8715 1.3218
7k 0.9672 0.5480 1.0000 0.8628 0.8707 -2.9824 1.6034
7l 0.9812 0.5521 1.0000 0.8707 0.8829 -3.7053 1.5793
7m 0.9369 0.5219 1.0000 0.8437 0.8589 -3.7860 1.6637
7n 0.9808 0.5329 1.0000 0.8529 0.8219 -4.1954 1.4859
7o 0.9495 0.5871 1.0000 0.7959 0.7011 -3.4370 1.1852
Pyrazinamide 0.9745 0.7222 0.9813 0.8760 0.9731 -0.8476 1.3021
Ciprofloxacin 0.9655 0.8956 0.9795 0.9116 0.9231 -3.4638 0.8090
Streptomycin 0.9712 0.6968 0.8824 0.8177 0.9230 -2.0122 -0.5128

aPredicted blood / brain barrier partion coefficient (1-high penetration, 2- medium penetration and 3- low penetration). bpredicted Caco-2 cell permeability in nm / s (acceptable range -1 is poor, +1 is great). cpredicted human intestinal absorption in nm / s (acceptable range 0 is poor, >1 is great). dpredictedP-glycoprotein Substrate in nm / s (acceptable range of -5 is poor, 1 is great). epredictedP-glycoprotein inhibitor in nm / s (acceptable range 0-1). fpredictedaqueous solubility, (Concern value is 0-2 highly soluble). gpredictedCaco-2 cell Permeability in cm / s (Concern value is -1 to 1).