6-[(5Z)-5-[1-[2-(3-chloroanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Formula:C25H22N3O5ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(5Z)-5-[1-[2-(3-chloroanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid is not a drug-like molecule.

MolName	6-[(5Z)-5-[1-[2-(3-chloroanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
MolecularFormula	C25H22N3O5ClS2
Smiles	OC(CCCCCN(C(/C(/S1)=C(\c(cccc2)c2N2CC(Nc3cccc(Cl)c3)=O)/C2=O)=O)C1=S)=O
InChI	InChI=1S/C25H22ClN3O5S2/c26-15-7-6-8-16(13-15)27-19(30)14-29-18-10-4-3-9-17(18)21(23(29)33)22-24(34)28(25(35)36-22)12-5-1-2-11-20(31)32/h3-4,6-10,13H,1-2,5,11-12,14H2,(H,27,30)(H,31,32)
InChIK	DEISJYXYAVSMMN-UHFFFAOYSA-N
TotalMolweight	544.051
Molweight	544.051
MonoisotopicMass	543.068939
CLogP	2.5005
CLogS	-5.596
H Acceptors	8
H Donors	2
TotalSurfaceArea	386.53
Relative PSA	0.33454
PolarSurfaceArea	164.41
Druglikeness	-4.1248
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	36
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Amides	3
AcidicOxygens	1
StereoCon

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1 - 6-[(5Z)-5-[1-[2-(3-chloroanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid | 2 - 6-[(5Z)-5-[1-[2-(3-chloroanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

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