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Lipinkski's Rule

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Phytochemical		Molecular Formula		Mw		HBD		HBA		LogP		PSA		Scientific Name		Source
Indaconitine		C34H47NO10		629.738		2		11		-0.405		0.21		Aconitum chasmanthum		Aconitum chasmanthum_Root
Chasmaconitine		C34H47NO9		613.738		1		10		0.82		0.181		Aconitum chasmanthum		Aconitum chasmanthum_Root
Cyanidin 3-O-glucoside		C21H21O11+		449.385		8		10		1.108		0.47		Vigna mungo		General
Cyanidin 3-O-glucoside		C21H21O11+		449.385		8		10		1.108		0.47		Allium sativum		General
Cyanidin 3-O-glucoside		C21H21O11+		449.385		8		10		1.108		0.47		Allium cepa		General
Gibberellin A1		C19H24O6		348.39		3		6		0.617		0.319		Allium cepa		General
Gibberellin A20		C19H24O5		332.391		2		5		1.719		0.265		Allium cepa		General
Tiglic acid		C5H8O2		100.116		1		2		1.341		0.291		Croton tiglium		Oil
Lauric acid		C12H24O2		200.318		1		2		4.568		0.149		Croton tiglium		General
Lauric acid		C12H24O2		200.318		1		2		4.568		0.149		Nigella sativa L		Seed, Seed oil
Myristic acid		C14H28O2		228.371		1		2		5.48		0.13		Croton tiglium		General
Octadecanoic acid		C18H36O2		228.371		1		2		5.48		0.13		Croton tiglium		General
Crotonoside		C10H13N5O5		284.477		1		2		7.305		0.105		Croton tiglium		General
Ingenol 3,20-dibenzoate		C34H36O7		284.477		1		2		7.305		0.105		Croton tiglium		General
Phorbol		C20H28O6		283.241		5		8		-2.38		0.587		Croton tiglium		Oil
Phorbol 12-tiglate 13-decanoate		C35H52O8		283.241		5		8		-2.38		0.587		Croton tiglium		Oil
12-Tetradecanoylphorbol 13-acetate		C36H56O8		556.645		2		7		4.629		0.199		Croton tiglium		General
(Z,Z,Z)-Octadeca-9,12,15-trienoic acid		C18H30O2		364.433		5		6		-0.52		0.319		Croton tiglium		General
(Z,Z,Z)-Octadeca-9,12,15-trienoic acid		C18H30O2		364.433		5		6		-0.52		0.319		Nigella sativa L		Seed, Seed oil
12-O-(2-Methylbutyryl)phorbol-13-dodecanoate		C37H58O8		600.783		3		8		5.644		0.199		Croton tiglium		General

Total rows: 76

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