(E)-3-(2-chloro-6-fluorophenyl)-1-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]prop-2-en-1-one

Formula:C19H17N5O3ClF Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-(2-chloro-6-fluorophenyl)-1-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(2-chloro-6-fluorophenyl)-1-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]prop-2-en-1-one
MolecularFormula	C19H17N5O3ClF
Smiles	O=C(/C=C/c(c(F)ccc1)c1Cl)N1CC(COn2nnc3cccnc23)OCC1
InChI	InChI=1S/C19H17ClFN5O3/c20-15-3-1-4-16(21)14(15)6-7-18(27)25-9-10-28-13(11-25)12-29-26-19-17(23-24-26)5-2-8-22-19/h1-8,13H,9-12H2/t13-/m1/s1
InChIK	FQWKHADVHCXROH-CYBMUJFWSA-N
TotalMolweight	417.827
Molweight	417.827
MonoisotopicMass	417.100395
CLogP	2.7949
CLogS	-5.144
H Acceptors	8
TotalSurfaceArea	303.46
Relative PSA	0.25166
PolarSurfaceArea	82.37
Druglikeness	-2.0823
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	7
Amides	1
Aromatic Nitrogens	4
StereoCon	racemate

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