mdonatello.properties

Classes

HydrogenBondAcceptors(mol)	A class for calculating the number of the hydrogen bond acceptors of a molecule.
HydrogenBondDonors(mol)	A class for calculating the number of the hydrogen bond donors of a molecule.
LogP(mol)	A class for calculating the LogP value of a molecule.
MolecularWeight(mol)	A class for calculating the molecular weight of a molecule.
Property(mol)	Base class for representing a property of a molecule.
RotatableBonds(mol)	A class for calculating the number of the rotatable bonds of a molecule.
Stereocenters(mol)	A class for calculating the number of stereocenters of a molecule.
TPSA(mol)	A class for calculating the TPSA value of a molecule.