[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate

Formula:C17H16N2O6F2S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate is a drug-like molecule.

MolName	[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
MolecularFormula	C17H16N2O6F2S
Smiles	O=C(COC(/C=C/c(cc1)ccc1OC(F)F)=O)NCCN(C(CS1)=O)C1=O
InChI	InChI=1S/C17H16F2N2O6S/c18-16(19)27-12-4-1-11(2-5-12)3-6-15(24)26-9-13(22)20-7-8-21-14(23)10-28-17(21)25/h1-6,16H,7-10H2,(H,20,22)
InChIK	IDXRIKUWJHANTJ-UHFFFAOYSA-N
TotalMolweight	414.384
Molweight	414.384
MonoisotopicMass	414.069714
CLogP	0.6192
CLogS	-3.089
H Acceptors	8
H Donors	1
TotalSurfaceArea	296.75
Relative PSA	0.35269
PolarSurfaceArea	127.31
Druglikeness	-0.39088
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.67857
Fragments	1
Non HAtoms	28
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	10
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Symmetricatoms	3
Amides	2
StereoCon

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1 - [2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate | 2 - [2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate

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