(E)-3-pyridin-2-yl-1-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]prop-2-en-1-one

Formula:C17H18N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-pyridin-2-yl-1-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-pyridin-2-yl-1-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]prop-2-en-1-one
MolecularFormula	C17H18N4O3
Smiles	O=C(/C=C/c1ncccc1)N1CC(COc2ncccn2)OCC1
InChI	InChI=1S/C17H18N4O3/c22-16(6-5-14-4-1-2-7-18-14)21-10-11-23-15(12-21)13-24-17-19-8-3-9-20-17/h1-9,15H,10-13H2/t15-/m1/s1
InChIK	XNXZBKAJSWLWPN-OAHLLOKOSA-N
TotalMolweight	326.355
Molweight	326.355
MonoisotopicMass	326.137891
CLogP	0.8659
CLogS	-1.52
H Acceptors	7
TotalSurfaceArea	257.89
Relative PSA	0.26949
PolarSurfaceArea	77.44
Druglikeness	3.0083
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	3
StereoCon	racemate

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