Research Article
Development of Quantitative Structure-Property Relationship Models for Self-Emulsifying Drug Delivery System of 2-Aryl Propionic Acid NSAIDs
Table 2
Values of important descriptors.
| Component | Dipole | MaxQ− | MaxQ+ | ABSQ |
ELUMO |
EHOMO | LogD | Volume | Wiener index |
| Ketoprofen | 4.6178 | −0.1264 | 0.7765 | 9.4418 | 0.07479 | −0.33786 | 1.906 | 167.38 | 724 | Ibuprofen | 1.9316 | −0.0067 | 0.7825 | 8.4045 | 0.13177 | −0.32242 | 2.150 | 152.63 | 404 | Flurbiprofen | 3.2118 | −0.0234 | 0.7838 | 8.3569 | 0.09569 | −0.28772 | 1.394 | 155.37 | 530 | Naproxen | 0.3521 | −0.7313 | 0.7820 | 8.2233 | 0.09868 | −0.31306 | 3.748 | 155.72 | 626 | Loxoprofen | 1.7058 | −0.3306 | 0.3272 | 3.6074 | 0.27676 | −0.27805 | 3.003 | 168.75 | 672 | Carprofen | 4.7591 | −1.0815 | 0.7836 | 9.0201 | 0.08655 | −0.29753 | 2.233 | 178.7 | 689 | Tween HS | 7.0424 | −0.5202 | 0.6213 | 38.9571 | 0.17706 | −0.40723 | −4.492 | 749.79 | 44308 | Tween20Ls | 0.0547 | −0.2885 | 0.1508 | 7.0901 | 0.22476 | −0.41273 | 5.389 | 137.54 | 220 | Tween40Ls | 0.0546 | −0.2885 | 0.1507 | 9.4410 | 0.22384 | −0.40605 | 7.214 | 183.5 | 560 | Tween80Ls | 0.2610 | −0.1646 | 0.1666 | 10.3074 | 0.18531 | −0.33536 | 7.682 | 209.91 | 816 | Oleic acid | 2.0597 | −0.1638 | 0.7540 | 12.8007 | 0.16604 | −0.33764 | 5.412 | 231.18 | 1313 | Ethyl oleate | 2.2099 | −0.1640 | 0.7924 | 13.7649 | 0.17516 | −0.33703 | 7.435 | 257.24 | 1720 | IPM | 2.2730 | −0.2715 | 0.8086 | 12.7784 | 0.17604 | −0.40761 | 6.432 | 227.4 | 1072 | Methyl laurate | 2.3148 | −0.1217 | 0.7871 | 9.8417 | 0.17346 | −0.4139 | 4.793 | 173.9 | 538 | Methyl oleate | 2.0349 | −0.1218 | 0.7872 | 13.0583 | 0.17314 | −0.33705 | 7.086 | 243.18 | 1506 | Butyl oleate | 2.2902 | −0.1522 | 0.7658 | 14.935 | 0.17492 | −0.33731 | 8.415 | 279.88 | 2215 | Ethanol | 2.1046 | −0.4459 | 0.4001 | 2.4001 | 0.22361 | −0.43772 | −0.010 | 38.75 | 4 | 1, 2-propanol | 3.1810 | −0.4491 | 0.4246 | 3.9863 | 0.2109 | −0.42825 | −0.520 | 54.87 | 18 | Ethylene glycol monoethyl ether | 0.4875 | −0.4526 | 0.4074 | 3.9245 | 0.21824 | −0.4152 | −0.141 | 67.91 | 35 | n-Butanol | 2.0417 | −0.2890 | 0.3996 | 3.6342 | 0.22567 | −0.43685 | 0.970 | 60.36 | 20 | Isopropyl alcohol | 2.0903 | −0.4291 | 0.3965 | 3.2827 | 0.21465 | −0.43207 | 0.368 | 49.39 | 9 | Diethylene glycol monoethyl ether | 2.0613 | −0.4526 | 0.4079 | 5.4420 | 0.21531 | −0.41581 | −0.272 | 98.09 | 120 |
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