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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
Adenosine		C10H13N5O4		267.241		4		8		-1.881		0.539		Crocus sativus		Sprouts
Kaempferol 3-glucuronide		C21H18O12		462.36		7		12		0.07		0.499		Anethum sowa		Anethum sowa_General
Miquelianin		C21H18O13		478.36		8		13		-0.172		0.534		Anethum sowa		Anethum sowa_General
Isorhamnetin 3-glucuronide		C22H20O13		492.386		7		13		0.054		0.48		Anethum sowa		Anethum sowa_General
(S)-(-)-Phellandral		C10H16O		152.233		0		1		2.864		0.093		Anethum sowa		Anethum sowa_Plant
(1S,4R)-(+)-Isodihydrocarvone		C10H16O		152.233		0		1		2.54		0.093		Anethum sowa		Anethum sowa_General
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
Astragalin		C21H20O11		448.377		7		11		-0.058		0.463		Carum carvi		General
Astragalin		C21H20O11		448.377		7		11		-0.058		0.463		Crocus sativus		General
Astragalin		C21H20O11		448.377		7		11		-0.058		0.463		Carthamus tinctorius		General
Gibberellin A1		C19H24O6		348.39		3		6		0.617		0.319		Brassica campestris		Brassica campestris_General
Gibberellin A1		C19H24O6		348.39		3		6		0.617		0.319		Carthamus tinctorius		General
Gibberellin A1		C19H24O6		348.39		3		6		0.617		0.319		Allium cepa		General
Gibberellin A3		C19H22O6		346.374		3		6		0.442		0.325		Brassica campestris		Brassica campestris_General
Gibberellin A3		C19H22O6		346.374		3		6		0.442		0.325		Carthamus tinctorius		General
Gibberellin A20		C19H24O5		332.391		2		5		1.719		0.265		Brassica campestris		Brassica campestris_General
Gibberellin A20		C19H24O5		332.391		2		5		1.719		0.265		Carthamus tinctorius		General

Total rows: 174

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