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Lipinkski's Rule

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Phytochemical		Molecular Formula		Mw		HBD		HBA		LogP		PSA		Scientific Name		Source
Tiliroside		C30H26O13		594.52		7		13		2.212		0.392		Aerva lanata		General
Kaempferol 3-(3'',6''-di-p-coumarylglucoside)		C39H32O15		740.662		7		15		4.481		0.35		Aerva lanata		General
Isorhamnetin 3-(6''-p-coumarylglucoside)		C31H28O14		624.546		7		14		2.195		0.384		Aerva lanata		General
Isorhamnetin 3-(3'',6''-di-p-coumarylglucoside)		C40H34O16		770.688		7		16		4.465		0.346		Aerva lanata		General
Cyanidin 3-O-glucoside		C21H21O11+		449.385		8		10		1.108		0.47		Vigna mungo		General
Gibberellin A1		C19H24O6		348.39		3		6		0.617		0.319		Carica papaya		Carica papaya_general
Gibberellin A3		C19H22O6		346.374		3		6		0.442		0.325		Carica papaya		Carica papaya_general
Glucobrassicin		C16H20N2O9S2		351.358		5		9		-0.951		0.407		Lepidium sativum		Lepidium sativum_general
4-Isopropyl benzaldehyde		C10H12O		136.234		0		0		3.502		0		Cuminum cyminum		Cuminum cyminum_General
(R)-linalool		C10H18O		154.249		1		1		2.735		0.094		Cuminum cyminum		Cuminum cyminum_Fruits and Seed
alpha-Terpinene		C10H16		136.234		0		0		3.448		0		Cuminum cyminum		Cuminum cyminum_Fruits and Seed
gamma-Terpinene		C10H16		136.234		0		0		3.448		0		Cuminum cyminum		Cuminum cyminum_Fruits and Seed
(E)-Caryophyllene		C15H24		204.351		0		0		4.753		0		Cuminum cyminum		Cuminum cyminum_Fruits and Seed
Luteolin 7-galacturonide-4'-glucoside		C27H28O17		624.501		10		17		-1.564		0.512		Cuminum cyminum		Cuminum cyminum_General
Cyclohexane		C15H24		204.351		0		0		4.788		0		Cuminum cyminum		Cuminum cyminum_General
(-)-Carene(-)-3-Carene		C10H16		136.234		0		0		2.872		0		Cuminum cyminum		Cuminum cyminum_General
(-)-Carene(-)-3-Carene		C10H16		136.234		0		0		2.872		0		Cedrus deodara		Cedrus deodara_general
alpha-Terpineol		C10H18O		154.249		1		1		2.415		0.102		Cuminum cyminum		Cuminum cyminum_Fruits and Seed
trans-Dihydrocarvone		C10H16O		152.233		0		1		2.54		0.093		Cuminum cyminum		Cuminum cyminum_General
2-C-Methyl-D-erythritol		C5H12O4		152.233		0		1		2.54		0.093		Cuminum cyminum		Cuminum cyminum_General

Total rows: 289

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