mordred.Lipinski module¶

class mordred.Lipinski.Lipinski[source]¶

Bases: mordred.Lipinski.LipinskiLike

Lipinski rule of 5 descriptor.

LogP: SLogP

explicit_hydrogens = True¶

kekulize = False¶

require_3D = False¶

require_connected = False¶

rtype¶: alias of bool

class mordred.Lipinski.GhoseFilter[source]¶

Bases: mordred.Lipinski.LipinskiLike

Ghose filter descriptor.

LogP, MR: SLogP, SMR

explicit_hydrogens = True¶

kekulize = False¶

require_3D = False¶

require_connected = False¶

rtype¶: alias of bool