(E)-N-(4-bromo-2-fluorophenyl)-2-cyano-3-[3-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide

Formula:C27H18N2O2BrF Mutagenic:low Tumorigenic:high Reproductive Effective:none (E)-N-(4-bromo-2-fluorophenyl)-2-cyano-3-[3-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-(4-bromo-2-fluorophenyl)-2-cyano-3-[3-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide
MolecularFormula	C27H18N2O2BrF
Smiles	N#C/C(/C(Nc(ccc(Br)c1)c1F)=O)=C\c1cc(OCc2cccc3ccccc23)ccc1
InChI	InChI=1S/C27H18BrFN2O2/c28-22-11-12-26(25(29)15-22)31-27(32)21(16-30)13-18-5-3-9-23(14-18)33-17-20-8-4-7-19-6-1-2-10-24(19)20/h1-15H,17H2,(H,31,32)
InChIK	RQRCLTZYXOTEQX-UHFFFAOYSA-N
TotalMolweight	501.354
Molweight	501.354
MonoisotopicMass	500.053567
CLogP	6.3568
CLogS	-7.865
H Acceptors	4
H Donors	1
TotalSurfaceArea	351.75
Relative PSA	0.13663
PolarSurfaceArea	62.12
Druglikeness	-5.1136
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Amides	1
StereoCon

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