Skip to main content
. 2023 May 1;28(9):3847. doi: 10.3390/molecules28093847

Table 9.

Lipinski rule of five and solubility of best-docked compounds.

Sr. No. Compounds Name Lipinski’s rule Solubility
HBD HBA MWT
(g/moL)
Lipophilicity MR LR ESOL Class Ali Class Silicos-IT Class
1. Octadecanoic acid, methyl ester 0 2 298.50 4.81 94.73 1 Moderately soluble Poorly soluble Poorly soluble
2. 4H-Pyran-4-one, 2,3- dihydro-3,5-dihydroxy-6- methyl- 2 4 144.13 1.19 32.39 0 Very soluble Very soluble Soluble
3. Ethyl Oleate 0 2 296.49 4.75 94.26 1 Moderately soluble Poorly soluble Poorly soluble
4. Eicosanoic acid, methyl ester 0 2 326.56 5.35 104.35 1 Poorly soluble Poorly soluble Poorly soluble
5. 1,6-Anhydro-β-ᴅ-glucopyranose 3 5 162.14 1.27 32.38 0 Highly soluble Highly soluble Soluble
6. Phthalic acid, bis(7- methyloctyl) ester 0 4 418.61 5.41 125.91 1 Poorly soluble Poorly soluble Poorly soluble
7. Di-n-octyl phthalate 0 4 390.56 4.14 116.30 1 Poorly soluble Poorly soluble Poorly soluble
8. Phenol, 2,2′-methylenebis[6-(1,1-dimethylethyl)-4-(1- methylpropyl) 2 2 424.66 4.95 137.25 1 Poorly soluble Poorly soluble Poorly soluble
9. γ-Sitosterol 1 1 414.71 4.79 133.23 1 Poorly soluble Poorly soluble Poorly soluble
10. Acarbose 14 19 645.60 0.63 136.69 3 Highly soluble Highly soluble Soluble

HBD: hydrogen bond donor; HBA: hydrogen bond acceptor; MWT: molecular weight; MR: molar refractivity; LR: Lipinski rule.

HHS Vulnerability Disclosure