(E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-phenylsulfanylprop-2-en-1-one

Formula:C21H21NO5S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-phenylsulfanylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-phenylsulfanylprop-2-en-1-one
MolecularFormula	C21H21NO5S
Smiles	O=C(/C=C/Sc1ccccc1)N1CC(COc(cc2)cc3c2OCO3)OCC1
InChI	InChI=1S/C21H21NO5S/c23-21(8-11-28-18-4-2-1-3-5-18)22-9-10-24-17(13-22)14-25-16-6-7-19-20(12-16)27-15-26-19/h1-8,11-12,17H,9-10,13-15H2/t17-/m1/s1
InChIK	IJOZBEQEUFWWRR-QGZVFWFLSA-N
TotalMolweight	399.466
Molweight	399.466
MonoisotopicMass	399.114044
CLogP	3.1644
CLogS	-4.123
H Acceptors	6
TotalSurfaceArea	299.36
Relative PSA	0.24746
PolarSurfaceArea	82.53
Druglikeness	3.1181
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	2
Amides	1
StereoCon	racemate

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