(E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one

Formula:C20H20N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one
MolecularFormula	C20H20N2O5
Smiles	O=C(/C=C/c1ncccc1)N1CC(COc(cc2)cc3c2OCO3)OCC1
InChI	InChI=1S/C20H20N2O5/c23-20(7-4-15-3-1-2-8-21-15)22-9-10-24-17(12-22)13-25-16-5-6-18-19(11-16)27-14-26-18/h1-8,11,17H,9-10,12-14H2/t17-/m1/s1
InChIK	ADTUPVZSIXREKL-QGZVFWFLSA-N
TotalMolweight	368.388
Molweight	368.388
MonoisotopicMass	368.137223
CLogP	2.171
CLogS	-2.964
H Acceptors	7
TotalSurfaceArea	280.63
Relative PSA	0.24074
PolarSurfaceArea	70.12
Druglikeness	2.9813
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Amides	1
Aromatic Nitrogens	1
StereoCon	racemate

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