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

Formula:C20H17N2O6F Mutagenic:none Tumorigenic:none Reproductive Effective:low [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate is a drug-like molecule.

MolName	[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
MolecularFormula	C20H17N2O6F
Smiles	O=C(COC(/C=C/c(cccc1)c1F)=O)NC(Nc(cc1)cc2c1OCCO2)=O
InChI	InChI=1S/C20H17FN2O6/c21-15-4-2-1-3-13(15)5-8-19(25)29-12-18(24)23-20(26)22-14-6-7-16-17(11-14)28-10-9-27-16/h1-8,11H,9-10,12H2,(H2,22,23,24,26)
InChIK	XPVPWBIKNPCYIY-UHFFFAOYSA-N
TotalMolweight	400.361
Molweight	400.361
MonoisotopicMass	400.107066
CLogP	2.5595
CLogS	-4.358
H Acceptors	8
H Donors	2
TotalSurfaceArea	299.82
Relative PSA	0.30698
PolarSurfaceArea	102.96
Druglikeness	-7.3821
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.65517
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
Amides	2
StereoCon

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

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