2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid

Formula:C22H18N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid is a drug-like molecule.

MolName	2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid
MolecularFormula	C22H18N2O6
Smiles	OC(C(Cc1c[nH]c2c1cccc2)NC(CC(c(ccc(O)c1)c1O1)=CC1=O)=O)=O
InChI	InChI=1S/C22H18N2O6/c25-14-5-6-16-12(9-21(27)30-19(16)10-14)8-20(26)24-18(22(28)29)7-13-11-23-17-4-2-1-3-15(13)17/h1-6,9-11,18,23,25H,7-8H2,(H,24,26)(H,28,29)/t18-/m0/s1
InChIK	FAHZZVDBRSXCPZ-SFHVURJKSA-N
TotalMolweight	406.393
Molweight	406.393
MonoisotopicMass	406.116488
CLogP	1.3323
CLogS	-3.353
H Acceptors	8
H Donors	4
TotalSurfaceArea	295.83
Relative PSA	0.34063
PolarSurfaceArea	128.72
Druglikeness	-10.355
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	6
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon	racemate

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1 - 2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid | 2 - 2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid

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