Synthesis of Novel VO(II)-Perimidine Complexes: Spectral, Computational, and Antitumor Studies

Table 8

QSAR computation for optimized structures of perimidine compounds.

Function	L^1	L^2	L^3	L^4	L^5
Surface area (approx.) (Å^2)	425.73	488.36	496.79	464.04	465.53
Surface area (grid) (Å^2)	623.02	661.15	661.91	644.29	642.82
Volume (Å^3)	1060.57	1138.87	1134.04	1105.99	1105.72
Hydration energy (kcal/mol)	−8.29	−9.97	−17.83	−8.00	−8.02
Log P	2.53	1.53	−1.64	2.31	2.31
Reactivity (Å^3)	132.87	139.25	138.92	137.59	137.59
Polarizability (Å^3)	45.32	47.80	47.62	47.25	47.25
Mass (amu)	390.44	420.47	436.45	424.89	424.89