4-[(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]butanoic acid

Formula:C19H16N4O7S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(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]butanoic acid is not a drug-like molecule.

MolName	4-[(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]butanoic acid
MolecularFormula	C19H16N4O7S3
Smiles	[O-][N+](c(cc1)cc(/C=C(/C(N2CCCC(O)=O)=O)\SC2=S)c1OCC(Nc1nccs1)=O)=O
InChI	InChI=1S/C19H16N4O7S3/c24-15(21-18-20-5-7-32-18)10-30-13-4-3-12(23(28)29)8-11(13)9-14-17(27)22(19(31)33-14)6-1-2-16(25)26/h3-5,7-9H,1-2,6,10H2,(H,25,26)(H,20,21,24)
InChIK	UQKUURIPCAGRAB-UHFFFAOYSA-N
TotalMolweight	508.555
Molweight	508.555
MonoisotopicMass	508.018111
CLogP	0.862
CLogS	-4.938
H Acceptors	11
H Donors	2
TotalSurfaceArea	359.2
Relative PSA	0.51356
PolarSurfaceArea	240.28
Druglikeness	-0.67919
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; limit! thiazol-2-ylamine
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	10
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	9
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon

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1 - 4-[(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]butanoic acid | 2 - 4-[(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]butanoic acid

Request More Details | 4-[(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]butanoic acid

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