Table 9.
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.