(E)-3-[3-chloro-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]-2-cyano-N-(4-fluorophenyl)prop-2-enamide

Formula:C24H16N3O3ClF2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-chloro-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]-2-cyano-N-(4-fluorophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-[3-chloro-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]-2-cyano-N-(4-fluorophenyl)prop-2-enamide
MolecularFormula	C24H16N3O3ClF2
Smiles	N#C/C(/C(Nc(cc1)ccc1F)=O)=C\c(cc1)cc(Cl)c1OCC(Nc(cc1)ccc1F)=O
InChI	InChI=1S/C24H16ClF2N3O3/c25-21-12-15(11-16(13-28)24(32)30-20-8-4-18(27)5-9-20)1-10-22(21)33-14-23(31)29-19-6-2-17(26)3-7-19/h1-12H,14H2,(H,29,31)(H,30,32)
InChIK	HTTSUQXKHVYDBP-UHFFFAOYSA-N
TotalMolweight	467.858
Molweight	467.858
MonoisotopicMass	467.084825
CLogP	4.5183
CLogS	-6.426
H Acceptors	6
H Donors	2
TotalSurfaceArea	349.5
Relative PSA	0.20761
PolarSurfaceArea	91.22
Druglikeness	-3.0463
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.66667
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	4
Amides	2
StereoCon

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1 - (E)-3-[3-chloro-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]-2-cyano-N-(4-fluorophenyl)prop-2-enamide | 2 - (E)-3-[3-chloro-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]-2-cyano-N-(4-fluorophenyl)prop-2-enamide

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