[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate

Formula:C16H20N2O7S2 Mutagenic:none Tumorigenic:none Reproductive Effective:low [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate is a drug-like molecule.

MolName	[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
MolecularFormula	C16H20N2O7S2
Smiles	O=C(COC(CNS(/C=C/c1ccccc1)(=O)=O)=O)NC(CC1)CS1(=O)=O
InChI	InChI=1S/C16H20N2O7S2/c19-15(18-14-7-8-26(21,22)12-14)11-25-16(20)10-17-27(23,24)9-6-13-4-2-1-3-5-13/h1-6,9,14,17H,7-8,10-12H2,(H,18,19)/t14-/m1/s1
InChIK	VGSLBBQESAGFOG-CQSZACIVSA-N
TotalMolweight	416.474
Molweight	416.474
MonoisotopicMass	416.071193
CLogP	-0.6838
CLogS	-2.813
H Acceptors	9
H Donors	2
TotalSurfaceArea	293.14
Relative PSA	0.39626
PolarSurfaceArea	152.47
Druglikeness	-0.45052
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	1
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	9
Symmetricatoms	4
Amides	2
StereoCon	racemate

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1 - [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate | 2 - [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate

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