To illustrate the use of C3 for calculating cavity properties, we computed the MHP for Cages 1 and 2. The average cavity hydrophobicity, 0.01 for Cage 1 and 0.09, for Cage 2, indicates that the cavity of Cage 2 is 9 times more hydrophobic than Cage 1 (Figure ). This illustrates that small cavities efficiently isolated by the cage walls are much more hydrophobic than large cages containing large windows. However, the algorithm is unsuitable for calculating the hydrophobicity of metallocages due to the lack of tabulated hydrophobic contributions for metals.