(E)-3-(2-chloro-6-fluorophenyl)-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]prop-2-en-1-one

Formula:C22H19N3O3ClF Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-3-(2-chloro-6-fluorophenyl)-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(2-chloro-6-fluorophenyl)-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]prop-2-en-1-one
MolecularFormula	C22H19N3O3ClF
Smiles	O=C(/C=C/c(c(F)ccc1)c1Cl)N1CC(COc2ncnc3ccccc23)OCC1
InChI	InChI=1S/C22H19ClFN3O3/c23-18-5-3-6-19(24)16(18)8-9-21(28)27-10-11-29-15(12-27)13-30-22-17-4-1-2-7-20(17)25-14-26-22/h1-9,14-15H,10-13H2/t15-/m1/s1
InChIK	JCXUFKQFZKJTIA-OAHLLOKOSA-N
TotalMolweight	427.862
Molweight	427.862
MonoisotopicMass	427.109897
CLogP	3.8184
CLogS	-5.096
H Acceptors	6
TotalSurfaceArea	315.5
Relative PSA	0.18552
PolarSurfaceArea	64.55
Druglikeness	1.7202
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	7
Amides	1
Aromatic Nitrogens	2
StereoCon	racemate

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