[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Formula:C16H15NO6 Mutagenic:none Tumorigenic:none Reproductive Effective:high [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
MolecularFormula	C16H15NO6
Smiles	O=C(COC(/C=C/c(cc1)cc2c1OCO2)=O)N(CCC1)C1=O
InChI	InChI=1S/C16H15NO6/c18-14-2-1-7-17(14)15(19)9-21-16(20)6-4-11-3-5-12-13(8-11)23-10-22-12/h3-6,8H,1-2,7,9-10H2
InChIK	MMVAGXODLIBGBA-UHFFFAOYSA-N
TotalMolweight	317.296
Molweight	317.296
MonoisotopicMass	317.089939
CLogP	1.5882
CLogS	-2.911
H Acceptors	7
TotalSurfaceArea	235.11
Relative PSA	0.30909
PolarSurfaceArea	82.14
Druglikeness	1.8468
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Amides	1
StereoCon

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