2-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-4-yl)methylamino]-3-phenylpropanoic acid

Formula:C23H23NO5 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-4-yl)methylamino]-3-phenylpropanoic acid is a drug-like molecule.

MolName	2-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-4-yl)methylamino]-3-phenylpropanoic acid
MolecularFormula	C23H23NO5
Smiles	OC(C(Cc1ccccc1)NCc(c(O1)c(cc2)C(CCCC3)=C3C1=O)c2O)=O
InChI	InChI=1S/C23H23NO5/c25-20-11-10-16-15-8-4-5-9-17(15)23(28)29-21(16)18(20)13-24-19(22(26)27)12-14-6-2-1-3-7-14/h1-3,6-7,10-11,19,24-25H,4-5,8-9,12-13H2,(H,26,27)/t19-/m0/s1
InChIK	XKZOQPCOAKEAMA-IBGZPJMESA-N
TotalMolweight	393.438
Molweight	393.438
MonoisotopicMass	393.157624
CLogP	0.9574
CLogS	-3.717
H Acceptors	6
H Donors	3
TotalSurfaceArea	293.66
Relative PSA	0.25111
PolarSurfaceArea	95.86
Druglikeness	-5.5684
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	2
Amines	1
AlkylAmines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon	racemate

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1 - 2-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-4-yl)methylamino]-3-phenylpropanoic acid | 2 - 2-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-4-yl)methylamino]-3-phenylpropanoic acid

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