(E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide

Formula:C18H15N2O4FS Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide
MolecularFormula	C18H15N2O4FS
Smiles	N#C/C(/C(NC(CC1)CS1(=O)=O)=O)=C\c1ccc(-c(cc2)ccc2F)o1
InChI	InChI=1S/C18H15FN2O4S/c19-14-3-1-12(2-4-14)17-6-5-16(25-17)9-13(10-20)18(22)21-15-7-8-26(23,24)11-15/h1-6,9,15H,7-8,11H2,(H,21,22)/t15-/m1/s1
InChIK	PGDXPRGEZDDUAZ-OAHLLOKOSA-N
TotalMolweight	374.391
Molweight	374.391
MonoisotopicMass	374.073656
CLogP	1.683
CLogS	-4.581
H Acceptors	6
H Donors	1
TotalSurfaceArea	273.55
Relative PSA	0.29519
PolarSurfaceArea	108.55
Druglikeness	-3.4113
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Symmetricatoms	3
Amides	1
StereoCon	racemate

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