[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Formula:C16H17NO7S Mutagenic:none Tumorigenic:none Reproductive Effective:high [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
MolecularFormula	C16H17NO7S
Smiles	O=C(COC(/C=C/c(cc1)cc2c1OCO2)=O)NC(CC1)CS1(=O)=O
InChI	InChI=1S/C16H17NO7S/c18-15(17-12-5-6-25(20,21)9-12)8-22-16(19)4-2-11-1-3-13-14(7-11)24-10-23-13/h1-4,7,12H,5-6,8-10H2,(H,17,18)/t12-/m1/s1
InChIK	INFCTUKHHHJKBS-GFCCVEGCSA-N
TotalMolweight	367.377
Molweight	367.377
MonoisotopicMass	367.072574
CLogP	0.4606
CLogS	-3.149
H Acceptors	8
H Donors	1
TotalSurfaceArea	259.6
Relative PSA	0.37026
PolarSurfaceArea	116.38
Druglikeness	-1.1762
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	10
Symmetricatoms	1
Amides	1
StereoCon	racemate

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1 - [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate | 2 - [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

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