2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]ethyl acetate

Formula:C22H22N2O7 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]ethyl acetate is a drug-like molecule.

MolName	2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]ethyl acetate
MolecularFormula	C22H22N2O7
Smiles	CC(OCCNC(/C(/NC(c(cccc1)c1OC)=O)=C\c(cc1)cc2c1OCO2)=O)=O
InChI	InChI=1S/C22H22N2O7/c1-14(25)29-10-9-23-22(27)17(11-15-7-8-19-20(12-15)31-13-30-19)24-21(26)16-5-3-4-6-18(16)28-2/h3-8,11-12H,9-10,13H2,1-2H3,(H,23,27)(H,24,26)
InChIK	HCDLBDLZKDWYBW-UHFFFAOYSA-N
TotalMolweight	426.424
Molweight	426.424
MonoisotopicMass	426.142703
CLogP	2.7207
CLogS	-4.298
H Acceptors	9
H Donors	2
TotalSurfaceArea	326.2
Relative PSA	0.31281
PolarSurfaceArea	112.19
Druglikeness	3.0708
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.45161
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Amides	2
StereoCon

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1 - 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]ethyl acetate | 2 - 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]ethyl acetate

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