2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]-3-phenylpropanoic acid

Formula:C20H17NO6 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]-3-phenylpropanoic acid is a drug-like molecule.

MolName	2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]-3-phenylpropanoic acid
MolecularFormula	C20H17NO6
Smiles	OC(C(Cc1ccccc1)NC(CC(c(ccc(O)c1)c1O1)=CC1=O)=O)=O
InChI	InChI=1S/C20H17NO6/c22-14-6-7-15-13(10-19(24)27-17(15)11-14)9-18(23)21-16(20(25)26)8-12-4-2-1-3-5-12/h1-7,10-11,16,22H,8-9H2,(H,21,23)(H,25,26)/t16-/m0/s1
InChIK	TUXAPVMPIFDOLA-INIZCTEOSA-N
TotalMolweight	367.356
Molweight	367.356
MonoisotopicMass	367.105589
CLogP	1.2929
CLogS	-2.828
H Acceptors	7
H Donors	3
TotalSurfaceArea	271.66
Relative PSA	0.31944
PolarSurfaceArea	112.93
Druglikeness	-10.355
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon	racemate

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