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11-[(5Z)-5-[1-[2-(3-chloroanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid

Formula:C30H32N3O5ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 11-[(5Z)-5-[1-[2-(3-chloroanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid is not a drug-like molecule.
MolName11-[(5Z)-5-[1-[2-(3-chloroanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid
MolecularFormulaC30H32N3O5ClS2
SmilesOC(CCCCCCCCCCN(C(/C(/S1)=C(\c(cccc2)c2N2CC(Nc3cccc(Cl)c3)=O)/C2=O)=O)C1=S)=O
InChIInChI=1S/C30H32ClN3O5S2/c31-20-12-11-13-21(18-20)32-24(35)19-34-23-15-9-8-14-22(23)26(28(34)38)27-29(39)33(30(40)41-27)17-10-6-4-2-1-3-5-7-16-25(36)37/h8-9,11-15,18H,1-7,10,16-17,19H2,(H,32,35)(H,36,37)
InChIKNGOSXZOQOQJVKL-UHFFFAOYSA-N
TotalMolweight614.185
Molweight614.185
MonoisotopicMass613.147189
CLogP4.7725
CLogS-6.946
H Acceptors8
H Donors2
TotalSurfaceArea455.33
Relative PSA0.28399
PolarSurfaceArea164.41
Druglikeness-5.3648
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.60976
Fragments1
Non HAtoms41
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond14
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms14
Amides3
AcidicOxygens1
StereoCon

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