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11-[(5Z)-5-[1-[2-(4-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-(4-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-(4-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(Nc(cc3)ccc3Cl)=O)/C2=O)=O)C1=S)=O
InChIInChI=1S/C30H32ClN3O5S2/c31-20-14-16-21(17-15-20)32-24(35)19-34-23-12-9-8-11-22(23)26(28(34)38)27-29(39)33(30(40)41-27)18-10-6-4-2-1-3-5-7-13-25(36)37/h8-9,11-12,14-17H,1-7,10,13,18-19H2,(H,32,35)(H,36,37)
InChIKHGFYCRYZVAVVNG-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
Irritantnone
Nasty Functions
Shape Index0.63415
Fragments1
Non HAtoms41
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond14
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms14
Symmetricatoms2
Amides3
AcidicOxygens1
StereoCon

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


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