(E)-2-cyano-3-[4-[2-(4-cyclohexylphenoxy)ethoxy]phenyl]-N-phenylprop-2-enamide

Formula:C30H30N2O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-3-[4-[2-(4-cyclohexylphenoxy)ethoxy]phenyl]-N-phenylprop-2-enamide is not a drug-like molecule.

MolName	(E)-2-cyano-3-[4-[2-(4-cyclohexylphenoxy)ethoxy]phenyl]-N-phenylprop-2-enamide
MolecularFormula	C30H30N2O3
Smiles	N#C/C(/C(Nc1ccccc1)=O)=C\c(cc1)ccc1OCCOc1ccc(C2CCCCC2)cc1
InChI	InChI=1S/C30H30N2O3/c31-22-26(30(33)32-27-9-5-2-6-10-27)21-23-11-15-28(16-12-23)34-19-20-35-29-17-13-25(14-18-29)24-7-3-1-4-8-24/h2,5-6,9-18,21,24H,1,3-4,7-8,19-20H2,(H,32,33)
InChIK	MXDSCERRLXUTHS-UHFFFAOYSA-N
TotalMolweight	466.579
Molweight	466.579
MonoisotopicMass	466.225643
CLogP	6.4801
CLogS	-6.805
H Acceptors	5
H Donors	1
TotalSurfaceArea	383.73
Relative PSA	0.1513
PolarSurfaceArea	71.35
Druglikeness	-13.724
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.68571
Fragments	1
Non HAtoms	35
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	10
Symmetricatoms	8
Amides	1
StereoCon

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