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

Formula:C22H16N3O5ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(5Z)-5-[1-[2-(2-chloroanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid is not a drug-like molecule.

MolName	3-[(5Z)-5-[1-[2-(2-chloroanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
MolecularFormula	C22H16N3O5ClS2
Smiles	OC(CCN(C(/C(/S1)=C(\c(cccc2)c2N2CC(Nc(cccc3)c3Cl)=O)/C2=O)=O)C1=S)=O
InChI	InChI=1S/C22H16ClN3O5S2/c23-13-6-2-3-7-14(13)24-16(27)11-26-15-8-4-1-5-12(15)18(20(26)30)19-21(31)25(22(32)33-19)10-9-17(28)29/h1-8H,9-11H2,(H,24,27)(H,28,29)
InChIK	FIOBXIUXEPPGTM-UHFFFAOYSA-N
TotalMolweight	501.97
Molweight	501.97
MonoisotopicMass	501.021989
CLogP	1.1373
CLogS	-4.786
H Acceptors	8
H Donors	2
TotalSurfaceArea	345.25
Relative PSA	0.37454
PolarSurfaceArea	164.41
Druglikeness	5.4954
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Amides	3
AcidicOxygens	1
StereoCon

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

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

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