(5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C18H14N2O6S3 Mutagenic:high Tumorigenic:high Reproductive Effective:none (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C18H14N2O6S3
Smiles	[O-][N+](c1cccc(-c2ccc(/C=C(/C(N3C(CC4)CS4(=O)=O)=O)\SC3=S)o2)c1)=O
InChI	InChI=1S/C18H14N2O6S3/c21-17-16(28-18(27)19(17)13-6-7-29(24,25)10-13)9-14-4-5-15(26-14)11-2-1-3-12(8-11)20(22)23/h1-5,8-9,13H,6-7,10H2/t13-/m1/s1
InChIK	ABIRCORJMDMRBZ-CYBMUJFWSA-N
TotalMolweight	450.515
Molweight	450.515
MonoisotopicMass	450.001398
CLogP	0.7781
CLogS	-5.602
H Acceptors	8
TotalSurfaceArea	304.7
Relative PSA	0.44368
PolarSurfaceArea	179.18
Druglikeness	-3.7189
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	1
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Symmetricatoms	1
Amides	1
AcidicOxygens	1
StereoCon	racemate

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1 - (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

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