(2S,3R)-2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-3-methylpentanoate

Formula:C19H22NO6 Mutagenic:none Tumorigenic:none Reproductive Effective:high (2S,3R)-2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-3-methylpentanoate is a drug-like molecule.

MolName	(2S,3R)-2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-3-methylpentanoate
MolecularFormula	C19H22NO6
Smiles	CC[C@@H](C)[C@@H](C([O-])=O)NC(CCC1=C(C)c(ccc(O)c2)c2OC1=O)=O
InChI	InChI=1S/C19H23NO6/c1-4-10(2)17(18(23)24)20-16(22)8-7-14-11(3)13-6-5-12(21)9-15(13)26-19(14)25/h5-6,9-10,17,21H,4,7-8H2,1-3H3,(H,20,22)(H,23,24)/p-1/t10-,17+/m1/s1
InChIK	STNXFILTVQCXMN-QGHHPUGFSA-M
TotalMolweight	360.385
Molweight	360.385
MonoisotopicMass	360.144714
CLogP	-0.2033
CLogS	-2.787
H Acceptors	7
H Donors	2
TotalSurfaceArea	274.33
Relative PSA	0.32064
PolarSurfaceArea	115.76
Druglikeness	3.7662
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	2
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	11
Amides	1
AcidicOxygens	1
StereoCon	this enantiomer

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