(2S)-2-[[2-(6,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]pentanoic acid

Formula:C19H23NO7 Mutagenic:none Tumorigenic:none Reproductive Effective:high (2S)-2-[[2-(6,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]pentanoic acid is a drug-like molecule.

MolName	(2S)-2-[[2-(6,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]pentanoic acid
MolecularFormula	C19H23NO7
Smiles	CCC[C@@H](C(O)=O)NC(CC1=C(C)c(cc(c(OC)c2)OC)c2OC1=O)=O
InChI	InChI=1S/C19H23NO7/c1-5-6-13(18(22)23)20-17(21)8-12-10(2)11-7-15(25-3)16(26-4)9-14(11)27-19(12)24/h7,9,13H,5-6,8H2,1-4H3,(H,20,21)(H,22,23)/t13-/m0/s1
InChIK	KLPWNZQAKJIFJZ-ZDUSSCGKSA-N
TotalMolweight	377.392
Molweight	377.392
MonoisotopicMass	377.147454
CLogP	1.4057
CLogS	-2.689
H Acceptors	8
H Donors	2
TotalSurfaceArea	286.56
Relative PSA	0.32691
PolarSurfaceArea	111.16
Druglikeness	-9.5292
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	12
Amides	1
AcidicOxygens	1
StereoCon	this enantiomer

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1 - (2S)-2-[[2-(6,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]pentanoic acid | 2 - (2S)-2-[[2-(6,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]pentanoic acid

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