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

Formula:C23H18N3O4F Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-N-(4-fluorophenyl)-3-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-N-(4-fluorophenyl)-3-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]prop-2-enamide
MolecularFormula	C23H18N3O4F
Smiles	N#C/C(/C(Nc(cc1)ccc1F)=O)=C\c(cc1)ccc1OCC(NCc1ccco1)=O
InChI	InChI=1S/C23H18FN3O4/c24-18-5-7-19(8-6-18)27-23(29)17(13-25)12-16-3-9-20(10-4-16)31-15-22(28)26-14-21-2-1-11-30-21/h1-12H,14-15H2,(H,26,28)(H,27,29)
InChIK	HKVADQIEEKNLGG-UHFFFAOYSA-N
TotalMolweight	419.411
Molweight	419.411
MonoisotopicMass	419.128135
CLogP	2.7096
CLogS	-4.874
H Acceptors	7
H Donors	2
TotalSurfaceArea	331.18
Relative PSA	0.2617
PolarSurfaceArea	104.36
Druglikeness	-2.8066
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.67742
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	4
Amides	2
StereoCon

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