[(4S,6S)-6-(furan-2-yl)-4-(phenoxymethyl)-1,5,2-dioxazinan-2-yl]-phenylmethanone

Formula:C21H19NO5 Mutagenic:high Tumorigenic:none Reproductive Effective:none [(4S,6S)-6-(furan-2-yl)-4-(phenoxymethyl)-1,5,2-dioxazinan-2-yl]-phenylmethanone is a drug-like molecule.

MolName	[(4S,6S)-6-(furan-2-yl)-4-(phenoxymethyl)-1,5,2-dioxazinan-2-yl]-phenylmethanone
MolecularFormula	C21H19NO5
Smiles	O=C(c1ccccc1)N1O[C@@H](c2ccco2)O[C@H](COc2ccccc2)C1
InChI	InChI=1S/C21H19NO5/c23-20(16-8-3-1-4-9-16)22-14-18(15-25-17-10-5-2-6-11-17)26-21(27-22)19-12-7-13-24-19/h1-13,18,21H,14-15H2/t18-,21-/m0/s1
InChIK	LEHRTFFXYSXILL-RXVVDRJESA-N
TotalMolweight	365.384
Molweight	365.384
MonoisotopicMass	365.126324
CLogP	2.5943
CLogS	-3.691
H Acceptors	6
TotalSurfaceArea	279.54
Relative PSA	0.21714
PolarSurfaceArea	61.14
Druglikeness	2.4803
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	2
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	4
StereoCon	this enantiomer

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