(E)-2-cyano-3-[3-(naphthalen-1-ylmethoxy)phenyl]-N-phenylprop-2-enamide

Formula:C27H20N2O2 Mutagenic:low Tumorigenic:high Reproductive Effective:none (E)-2-cyano-3-[3-(naphthalen-1-ylmethoxy)phenyl]-N-phenylprop-2-enamide is not a drug-like molecule.

MolName	(E)-2-cyano-3-[3-(naphthalen-1-ylmethoxy)phenyl]-N-phenylprop-2-enamide
MolecularFormula	C27H20N2O2
Smiles	N#C/C(/C(Nc1ccccc1)=O)=C\c1cc(OCc2cccc3ccccc23)ccc1
InChI	InChI=1S/C27H20N2O2/c28-18-23(27(30)29-24-12-2-1-3-13-24)16-20-8-6-14-25(17-20)31-19-22-11-7-10-21-9-4-5-15-26(21)22/h1-17H,19H2,(H,29,30)
InChIK	XTADOQKWCUYFEY-UHFFFAOYSA-N
TotalMolweight	404.468
Molweight	404.468
MonoisotopicMass	404.152478
CLogP	5.5308
CLogS	-6.717
H Acceptors	4
H Donors	1
TotalSurfaceArea	326.77
Relative PSA	0.14708
PolarSurfaceArea	62.12
Druglikeness	-1.9836
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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