2-[(5E)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanedioic acid

Formula:C20H16N2O8S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(5E)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanedioic acid is a drug-like molecule.

MolName	2-[(5E)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanedioic acid
MolecularFormula	C20H16N2O8S2
Smiles	[O-][N+](c(cc1)ccc1-c1ccc(/C=C(\C(N2C(CCCC(O)=O)C(O)=O)=O)/SC2=S)o1)=O
InChI	InChI=1S/C20H16N2O8S2/c23-17(24)3-1-2-14(19(26)27)21-18(25)16(32-20(21)31)10-13-8-9-15(30-13)11-4-6-12(7-5-11)22(28)29/h4-10,14H,1-3H2,(H,23,24)(H,26,27)/t14-/m0/s1
InChIK	QLQUIBKJMFTJLG-AWEZNQCLSA-N
TotalMolweight	476.485
Molweight	476.485
MonoisotopicMass	476.034808
CLogP	0.9906
CLogS	-5.496
H Acceptors	10
H Donors	2
TotalSurfaceArea	337.82
Relative PSA	0.47034
PolarSurfaceArea	211.26
Druglikeness	-6.9522
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	12
Electronegative Atoms	12
StereoCenters	1
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	9
Symmetricatoms	2
Amides	1
AcidicOxygens	3
StereoCon	racemate

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1 - 2-[(5E)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanedioic acid | 2 - 2-[(5E)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanedioic acid

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