[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Formula:C20H15NO7 Mutagenic:none Tumorigenic:none Reproductive Effective:high [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
MolecularFormula	C20H15NO7
Smiles	O=C(COC(/C=C/c(cc1)cc2c1OCO2)=O)c(cc1)cc(N2)c1OCC2=O
InChI	InChI=1S/C20H15NO7/c22-15(13-3-5-16-14(8-13)21-19(23)10-25-16)9-26-20(24)6-2-12-1-4-17-18(7-12)28-11-27-17/h1-8H,9-11H2,(H,21,23)
InChIK	FSYAAPUTRNCKIL-UHFFFAOYSA-N
TotalMolweight	381.339
Molweight	381.339
MonoisotopicMass	381.084854
CLogP	1.8354
CLogS	-4.66
H Acceptors	8
H Donors	1
TotalSurfaceArea	278.51
Relative PSA	0.32523
PolarSurfaceArea	100.16
Druglikeness	0.91774
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Amides	1
StereoCon

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1 - [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate | 2 - [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

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