2-[(E)-3-naphthalen-2-ylsulfonylprop-2-enyl]sulfanyl-5-(phenoxymethyl)-1,3,4-oxadiazole

Formula:C22H18N2O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-3-naphthalen-2-ylsulfonylprop-2-enyl]sulfanyl-5-(phenoxymethyl)-1,3,4-oxadiazole is a drug-like molecule.

MolName	2-[(E)-3-naphthalen-2-ylsulfonylprop-2-enyl]sulfanyl-5-(phenoxymethyl)-1,3,4-oxadiazole
MolecularFormula	C22H18N2O4S2
Smiles	O=S(/C=C/CSc1nnc(COc2ccccc2)o1)(c1cc2ccccc2cc1)=O
InChI	InChI=1S/C22H18N2O4S2/c25-30(26,20-12-11-17-7-4-5-8-18(17)15-20)14-6-13-29-22-24-23-21(28-22)16-27-19-9-2-1-3-10-19/h1-12,14-15H,13,16H2
InChIK	HQSYBCWBJBSBBC-UHFFFAOYSA-N
TotalMolweight	438.527
Molweight	438.527
MonoisotopicMass	438.070798
CLogP	3.8343
CLogS	-5.777
H Acceptors	6
TotalSurfaceArea	324.68
Relative PSA	0.28373
PolarSurfaceArea	115.97
Druglikeness	-0.37976
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	5
Symmetricatoms	3
Aromatic Nitrogens	2
StereoCon

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1 - 2-[(E)-3-naphthalen-2-ylsulfonylprop-2-enyl]sulfanyl-5-(phenoxymethyl)-1,3,4-oxadiazole | 2 - 2-[(E)-3-naphthalen-2-ylsulfonylprop-2-enyl]sulfanyl-5-(phenoxymethyl)-1,3,4-oxadiazole

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