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11-[(5Z)-4-oxo-5-[2-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid

Formula:C31H32N3O5F3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 11-[(5Z)-4-oxo-5-[2-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid is not a drug-like molecule.
MolName11-[(5Z)-4-oxo-5-[2-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid
MolecularFormulaC31H32N3O5F3S2
SmilesOC(CCCCCCCCCCN(C(/C(/S1)=C(\c(cccc2)c2N2CC(Nc3cc(C(F)(F)F)ccc3)=O)/C2=O)=O)C1=S)=O
InChIInChI=1S/C31H32F3N3O5S2/c32-31(33,34)20-12-11-13-21(18-20)35-24(38)19-37-23-15-9-8-14-22(23)26(28(37)41)27-29(42)36(30(43)44-27)17-10-6-4-2-1-3-5-7-16-25(39)40/h8-9,11-15,18H,1-7,10,16-17,19H2,(H,35,38)(H,39,40)
InChIKKUTDMRBHSROZAM-UHFFFAOYSA-N
TotalMolweight647.737
Molweight647.737
MonoisotopicMass647.173546
CLogP5.0148
CLogS-6.988
H Acceptors8
H Donors2
TotalSurfaceArea469.37
Relative PSA0.2755
PolarSurfaceArea164.41
Druglikeness-12.621
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.59091
Fragments1
Non HAtoms44
NonCHAtoms13
Electronegative Atoms13
Rotatable Bond15
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms15
Symmetricatoms2
Amides3
AcidicOxygens1
StereoCon

Request More Details | 11-[(5Z)-4-oxo-5-[2-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid


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