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

Formula:C24H17N3O4ClF Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-chloro-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-[3-chloro-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
MolecularFormula	C24H17N3O4ClF
Smiles	N#C/C(/C(Nc(cc1)ccc1O)=O)=C\c(cc1)cc(Cl)c1OCC(Nc(cc1)ccc1F)=O
InChI	InChI=1S/C24H17ClFN3O4/c25-21-12-15(11-16(13-27)24(32)29-19-6-8-20(30)9-7-19)1-10-22(21)33-14-23(31)28-18-4-2-17(26)3-5-18/h1-12,30H,14H2,(H,28,31)(H,29,32)
InChIK	LMBZBBHUFBHRJX-UHFFFAOYSA-N
TotalMolweight	465.867
Molweight	465.867
MonoisotopicMass	465.089162
CLogP	4.0718
CLogS	-5.816
H Acceptors	7
H Donors	3
TotalSurfaceArea	349.5
Relative PSA	0.24509
PolarSurfaceArea	111.45
Druglikeness	-3.0197
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	3
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-hydroxyphenyl)prop-2-enamide | 2 - (E)-3-[3-chloro-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide

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