[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate

Formula:C15H16NO5FS Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate is a drug-like molecule.

MolName	[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
MolecularFormula	C15H16NO5FS
Smiles	O=C(COC(/C=C/c(cc1)ccc1F)=O)NC(CC1)CS1(=O)=O
InChI	InChI=1S/C15H16FNO5S/c16-12-4-1-11(2-5-12)3-6-15(19)22-9-14(18)17-13-7-8-23(20,21)10-13/h1-6,13H,7-10H2,(H,17,18)/t13-/m1/s1
InChIK	XJLQYPNJZALRNZ-CYBMUJFWSA-N
TotalMolweight	341.358
Molweight	341.358
MonoisotopicMass	341.073322
CLogP	0.45
CLogS	-2.752
H Acceptors	6
H Donors	1
TotalSurfaceArea	245.69
Relative PSA	0.30982
PolarSurfaceArea	97.92
Druglikeness	-2.3127
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Symmetricatoms	3
Amides	1
StereoCon	racemate

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1 - [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate | 2 - [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate

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