Class Lipinski

Instance Methods

molWeight(self, mol)

hydroDonorCount(self, mol)

hydroAcceptorCount(self, mol)

Class Variables

alcoholPattern = "[OH]"

aminePattern = "[NH]"

amine2Pattern = "[NH2]"

oxyPattern = "O"

nitroPattern = "N"

alcoholSearch = OESubSearch()

amineSearch = OESubSearch()

amine2Search = OESubSearch()

oxySearch = OESubSearch()

nitroSearch = OESubSearch()