(E)-3-(2,3,4,5,6-pentafluorophenyl)-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]prop-2-en-1-one

Formula:C22H16N3O3F5 Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-3-(2,3,4,5,6-pentafluorophenyl)-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(2,3,4,5,6-pentafluorophenyl)-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]prop-2-en-1-one
MolecularFormula	C22H16N3O3F5
Smiles	O=C(/C=C/c(c(F)c(c(F)c1F)F)c1F)N1CC(COc2ncnc3ccccc23)OCC1
InChI	InChI=1S/C22H16F5N3O3/c23-17-14(18(24)20(26)21(27)19(17)25)5-6-16(31)30-7-8-32-12(9-30)10-33-22-13-3-1-2-4-15(13)28-11-29-22/h1-6,11-12H,7-10H2/t12-/m1/s1
InChIK	BBWHMVBPYCODAA-GFCCVEGCSA-N
TotalMolweight	465.377
Molweight	465.377
MonoisotopicMass	465.111182
CLogP	3.6156
CLogS	-5.616
H Acceptors	6
TotalSurfaceArea	325.48
Relative PSA	0.17983
PolarSurfaceArea	64.55
Druglikeness	1.6683
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	polyhalo aromatic ring
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	1
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	7
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon	racemate

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1 - (E)-3-(2,3,4,5,6-pentafluorophenyl)-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]prop-2-en-1-one | 2 - (E)-3-(2,3,4,5,6-pentafluorophenyl)-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]prop-2-en-1-one

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