(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide

Formula:C17H19N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide
MolecularFormula	C17H19N3O4
Smiles	NC(COc1ccc(/C=C(/C(NCC2OCCC2)=O)\C#N)cc1)=O
InChI	InChI=1S/C17H19N3O4/c18-9-13(17(22)20-10-15-2-1-7-23-15)8-12-3-5-14(6-4-12)24-11-16(19)21/h3-6,8,15H,1-2,7,10-11H2,(H2,19,21)(H,20,22)/t15-/m1/s1
InChIK	GJGAHLRCIHIVRM-OAHLLOKOSA-N
TotalMolweight	329.355
Molweight	329.355
MonoisotopicMass	329.137557
CLogP	0.2416
CLogS	-2.817
H Acceptors	7
H Donors	2
TotalSurfaceArea	262.96
Relative PSA	0.32845
PolarSurfaceArea	114.44
Druglikeness	-1.962
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Symmetricatoms	2
Amides	2
StereoCon	racemate

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