(E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one

Formula:C22H20NO6F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one
MolecularFormula	C22H20NO6F3
Smiles	O=C(/C=C/c1cccc(OC(F)(F)F)c1)N1CC(COc(cc2)cc3c2OCO3)OCC1
InChI	InChI=1S/C22H20F3NO6/c23-22(24,25)32-17-3-1-2-15(10-17)4-7-21(27)26-8-9-28-18(12-26)13-29-16-5-6-19-20(11-16)31-14-30-19/h1-7,10-11,18H,8-9,12-14H2/t18-/m1/s1
InChIK	QCFSRWOCKLUMFK-GOSISDBHSA-N
TotalMolweight	451.396
Molweight	451.396
MonoisotopicMass	451.124273
CLogP	4.2169
CLogS	-4.758
H Acceptors	7
TotalSurfaceArea	321.33
Relative PSA	0.20723
PolarSurfaceArea	66.46
Druglikeness	-5.0187
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	12
Symmetricatoms	2
Amides	1
StereoCon	racemate

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1 - (E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one | 2 - (E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one

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