Table 5.
Chemo-informatic properties of standard and lead compounds.
| Curcumin (standard) | Augustamine | Camptothecin | |
|---|---|---|---|
| Molecular Weight (g/mol) | 368.4 | 301.34 | 348.4 |
| XLogP3 | 3.2 | 1.8 | 1 |
| Hydrogen Bond Donors | 2 | 0 | 1 |
| Hydrogen bond acceptors | 6 | 5 | 5 |
| # heavy atoms | 27 | 22 | 26 |
| # rotatable bonds | 8 | 0 | 1 |
| TPSA (angstrom) | 93.1 | 40.2 | 79.7 |
| Molar Refractivity | 102.80 | 81.30 | 95.31 |
| Saturation (fraction csp3) | 0.14 | 0.65 | 0.25 |
| PAIN Alert | 0 | 0 | 0 |
| GCPR ligand | -0.06 | 0.36 | 0.46 |
| Ion channel modulator | -0.20 | 0.35 | -0.15 |
| Kinase Inhibitor | -0.26 | 0.02 | 0.27 |
| Nuclear Receptor Ligand | 0.12 | -0.07 | 0.07 |
| Protease Inhibitor | -0.14 | -0.01 | -0.10 |
| Enzyme Inhibitor | 0.08 | 0.18 | 1.11 |