[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate

Formula:C20H17N2O6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate is a drug-like molecule.

MolName	[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
MolecularFormula	C20H17N2O6Cl
Smiles	O=C(COC(/C=C/c(cc1)ccc1Cl)=O)NC(Nc(cc1)cc2c1OCCO2)=O
InChI	InChI=1S/C20H17ClN2O6/c21-14-4-1-13(2-5-14)3-8-19(25)29-12-18(24)23-20(26)22-15-6-7-16-17(11-15)28-10-9-27-16/h1-8,11H,9-10,12H2,(H2,22,23,24,26)
InChIK	XSAMWAQOBQVGKO-UHFFFAOYSA-N
TotalMolweight	416.816
Molweight	416.816
MonoisotopicMass	416.077515
CLogP	3.0647
CLogS	-4.78
H Acceptors	8
H Donors	2
TotalSurfaceArea	308.89
Relative PSA	0.29797
PolarSurfaceArea	102.96
Druglikeness	-5.9658
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68966
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
Amides	2
StereoCon

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1 - [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate | 2 - [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate

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