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11-[(5Z)-5-[[3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid

Formula:C37H38N3O4FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 11-[(5Z)-5-[[3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid is not a drug-like molecule.
MolName11-[(5Z)-5-[[3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid
MolecularFormulaC37H38N3O4FS2
SmilesOC(CCCCCCCCCCN(C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c(cc2)ccc2OCc(cc2)ccc2F)=O)C1=S)=O
InChIInChI=1S/C37H38FN3O4S2/c38-30-19-15-27(16-20-30)26-45-32-21-17-28(18-22-32)35-29(25-41(39-35)31-12-8-7-9-13-31)24-33-36(44)40(37(46)47-33)23-11-6-4-2-1-3-5-10-14-34(42)43/h7-9,12-13,15-22,24-25H,1-6,10-11,14,23,26H2,(H,42,43)
InChIKGKYLNAKUYGKKHY-UHFFFAOYSA-N
TotalMolweight671.856
Molweight671.856
MonoisotopicMass671.228775
CLogP6.9846
CLogS-8.511
H Acceptors7
H Donors1
TotalSurfaceArea521.77
Relative PSA0.22244
PolarSurfaceArea142.05
Druglikeness-6.3421
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.61702
Fragments1
Non HAtoms47
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond17
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms15
Symmetricatoms6
Amides1
Aromatic Nitrogens2
AcidicOxygens1
StereoCon

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