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3-[(5Z)-5-[[5-nitro-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

Formula:C18H14N4O7S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(5Z)-5-[[5-nitro-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid is not a drug-like molecule.
MolName3-[(5Z)-5-[[5-nitro-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
MolecularFormulaC18H14N4O7S3
Smiles[O-][N+](c(cc1)cc(/C=C(/C(N2CCC(O)=O)=O)\SC2=S)c1OCC(Nc1nccs1)=O)=O
InChIInChI=1S/C18H14N4O7S3/c23-14(20-17-19-4-6-31-17)9-29-12-2-1-11(22(27)28)7-10(12)8-13-16(26)21(18(30)32-13)5-3-15(24)25/h1-2,4,6-8H,3,5,9H2,(H,24,25)(H,19,20,23)
InChIKQVXKYDLIIRAWCH-UHFFFAOYSA-N
TotalMolweight494.528
Molweight494.528
MonoisotopicMass494.002461
CLogP0.4076
CLogS-4.668
H Acceptors11
H Donors2
TotalSurfaceArea345.44
Relative PSA0.53401
PolarSurfaceArea240.28
Druglikeness0.21933
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro; limit! thiazol-2-ylamine
Shape Index0.53125
Fragments1
Non HAtoms32
NonCHAtoms14
Electronegative Atoms14
Rotatable Bond9
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms8
Amides2
Aromatic Nitrogens1
AcidicOxygens2
StereoCon

Request More Details | 3-[(5Z)-5-[[5-nitro-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid


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