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

Formula:C23H18N3O5ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(5Z)-5-[1-[2-(2-chloroanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid is not a drug-like molecule.

MolName	4-[(5Z)-5-[1-[2-(2-chloroanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
MolecularFormula	C23H18N3O5ClS2
Smiles	OC(CCCN(C(/C(/S1)=C(\c(cccc2)c2N2CC(Nc(cccc3)c3Cl)=O)/C2=O)=O)C1=S)=O
InChI	InChI=1S/C23H18ClN3O5S2/c24-14-7-2-3-8-15(14)25-17(28)12-27-16-9-4-1-6-13(16)19(21(27)31)20-22(32)26(23(33)34-20)11-5-10-18(29)30/h1-4,6-9H,5,10-12H2,(H,25,28)(H,29,30)
InChIK	MWRPMLGZARQCLL-UHFFFAOYSA-N
TotalMolweight	515.997
Molweight	515.997
MonoisotopicMass	515.037639
CLogP	1.5917
CLogS	-5.056
H Acceptors	8
H Donors	2
TotalSurfaceArea	359.01
Relative PSA	0.36018
PolarSurfaceArea	164.41
Druglikeness	4.5509
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Amides	3
AcidicOxygens	1
StereoCon

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

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