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

Formula:C22H19N3O3BrF Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-3-(3-bromo-4-fluorophenyl)-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(3-bromo-4-fluorophenyl)-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]prop-2-en-1-one
MolecularFormula	C22H19N3O3BrF
Smiles	O=C(/C=C/c(cc1)cc(Br)c1F)N1CC(COc2ncnc3ccccc23)OCC1
InChI	InChI=1S/C22H19BrFN3O3/c23-18-11-15(5-7-19(18)24)6-8-21(28)27-9-10-29-16(12-27)13-30-22-17-3-1-2-4-20(17)25-14-26-22/h1-8,11,14,16H,9-10,12-13H2/t16-/m1/s1
InChIK	NFUKEYVTLPEQBV-MRXNPFEDSA-N
TotalMolweight	472.313
Molweight	472.313
MonoisotopicMass	471.059381
CLogP	3.9376
CLogS	-5.194
H Acceptors	6
TotalSurfaceArea	318.71
Relative PSA	0.18365
PolarSurfaceArea	64.55
Druglikeness	-0.12167
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.6
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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