(E)-3-[3-chloro-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]-N-(2-chlorophenyl)-2-cyanoprop-2-enamide

Formula:C24H16N3O3Cl2F Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-chloro-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]-N-(2-chlorophenyl)-2-cyanoprop-2-enamide is not a drug-like molecule.

MolName	(E)-3-[3-chloro-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]-N-(2-chlorophenyl)-2-cyanoprop-2-enamide
MolecularFormula	C24H16N3O3Cl2F
Smiles	N#C/C(/C(Nc(cccc1)c1Cl)=O)=C\c(cc1)cc(Cl)c1OCC(Nc(cc1)ccc1F)=O
InChI	InChI=1S/C24H16Cl2FN3O3/c25-19-3-1-2-4-21(19)30-24(32)16(13-28)11-15-5-10-22(20(26)12-15)33-14-23(31)29-18-8-6-17(27)7-9-18/h1-12H,14H2,(H,29,31)(H,30,32)
InChIK	YVVNFICKORFYSW-UHFFFAOYSA-N
TotalMolweight	484.313
Molweight	484.313
MonoisotopicMass	483.055274
CLogP	5.0235
CLogS	-6.848
H Acceptors	6
H Donors	2
TotalSurfaceArea	358.57
Relative PSA	0.20236
PolarSurfaceArea	91.22
Druglikeness	-3.0463
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	twice activated DB
Shape Index	0.63636
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	2
Amides	2
StereoCon

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1 - (E)-3-[3-chloro-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]-N-(2-chlorophenyl)-2-cyanoprop-2-enamide | 2 - (E)-3-[3-chloro-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]-N-(2-chlorophenyl)-2-cyanoprop-2-enamide

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