The properties are:
clogP | The computed octanol/water partition coefficient |
error-clogP | Possible error or warning number in clogP calculation |
measured_logP | The measured logP, if available |
cmr | The computed molar refractivity |
error-cmr | Possible error or warning number in cmr calculation |
heavy_atoms | The number of heavy atoms in the structure |
hetero_atoms | The number of heteroatoms in the structure |
heavy_bonds | The number of bonds between heavy atoms |
charge | The overall charge on the molecule |
charged_atoms | The number atoms which are charged |
rings | The total number of rings in the structure |
aro_rings | The number of aromatic rings in the structure |
formula | The molecular formula |
formula_wt | The computed formula, or molecular weight |
volume | The estimated molecular volume (coming soon) |
ABE | The Andrews' Binding Energy of the structure (coming soon) |