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

Formula:C23H20N3O4F3 Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one
MolecularFormula	C23H20N3O4F3
Smiles	O=C(/C=C/c1cccc(OC(F)(F)F)c1)N1CC(COc2ncnc3ccccc23)OCC1
InChI	InChI=1S/C23H20F3N3O4/c24-23(25,26)33-17-5-3-4-16(12-17)8-9-21(30)29-10-11-31-18(13-29)14-32-22-19-6-1-2-7-20(19)27-15-28-22/h1-9,12,15,18H,10-11,13-14H2/t18-/m1/s1
InChIK	BDMCEUKOWCWMLK-GOSISDBHSA-N
TotalMolweight	459.423
Molweight	459.423
MonoisotopicMass	459.140591
CLogP	4.2106
CLogS	-5.069
H Acceptors	7
TotalSurfaceArea	333.19
Relative PSA	0.20568
PolarSurfaceArea	73.78
Druglikeness	-4.9917
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	9
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon	racemate

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