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Lipinkski's Rule

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Phytochemical		Molecular Formula		Mw		HBD		HBA		LogP		PSA		Scientific Name		Source
(-)-Carene(-)-3-Carene		C10H16		136.234		0		0		2.872		0		Cedrus deodara		Cedrus deodara_general
(-)-Zingiberene		C15H24		204.351		0		0		5.08		0		Piper longum		Essential oil of fruit
(-)-Zingiberene		C15H24		204.351		0		0		5.08		0		Piper longum		Essential oil of fruit
(-)-beta-Sitosterol		C29H50O		414.707		1		1		8.084		0.042		Withania somnifera		General
(-)-beta-Sitosterol		C29H50O		414.707		1		1		8.084		0.042		Withania somnifera		General
(-)-beta-Sitosterol		C29H50O		414.707		1		1		8.084		0.042		Withania somnifera		General
(-)-beta-Sitosterol		C29H50O		414.707		1		1		8.084		0.042		Withania somnifera		General
3-O-beta-D-Glucopyranosyl sitosterol		C35H60O6		576.847		4		6		6.337		0.16		Withania somnifera		General
3-O-beta-D-Glucopyranosyl sitosterol		C35H60O6		576.847		4		6		6.337		0.16		Withania somnifera		General
Stigmasterol		C29H48O		412.691		1		1		7.639		0.042		Papaver somniferum		Seed
Stigmasterol		C29H48O		412.691		1		1		7.639		0.042		Withania somnifera		General
Stigmasterol		C29H48O		412.691		1		1		7.639		0.042		Withania somnifera		General
Indole-3-acetyl-L-aspartic acid		C14H14N2O5		290.271		4		5		0.712		0.419		Papaver somniferum		General
N-Malonyltryptophan		C14H14N2O5		290.271		4		5		0.999		0.419		Papaver somniferum		General
Caffeic acid		C9H8O4		180.157		3		4		1.443		0.429		Papaver somniferum		General
Caffeic acid		C9H8O4		180.157		3		4		1.443		0.429		Valeriana jatamansi		Valeriana jatamansi_General
D-Mannoheptulose		C7H14O7		210.182		6		7		-3.075		0.634		Papaver somniferum		Poppy
Sedoheptulose		C7H14O7		210.182		6		7		-3.075		0.634		Papaver somniferum		Poppy
Dopamine		C8H11NO2		153.178		3		3		0.773		0.395		Papaver somniferum		General
Codeine		C18H21NO3		299.364		1		4		1.637		0.146		Papaver somniferum		Poppy

Total rows: 97

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