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(4E)-5-(4-fluorophenyl)-4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione

Formula:C28H32N3O7FS Mutagenic:none Tumorigenic:none Reproductive Effective:low (4E)-5-(4-fluorophenyl)-4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione is not a drug-like molecule.
MolName(4E)-5-(4-fluorophenyl)-4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
MolecularFormulaC28H32N3O7FS
SmilesO/C(/c(cc1)ccc1S(N1CCOCC1)(=O)=O)=C(\C(c(cc1)ccc1F)N(CCCN1CCOCC1)C1=O)/C1=O
InChIInChI=1S/C28H32FN3O7S/c29-22-6-2-20(3-7-22)25-24(27(34)28(35)32(25)11-1-10-30-12-16-38-17-13-30)26(33)21-4-8-23(9-5-21)40(36,37)31-14-18-39-19-15-31/h2-9,25,33H,1,10-19H2/t25-/m1/s1
InChIKJKTLFUPIHXGRHZ-RUZDIDTESA-N
TotalMolweight573.64
Molweight573.64
MonoisotopicMass573.1945
CLogP1.2059
CLogS-1.428
H Acceptors10
H Donors1
TotalSurfaceArea406.98
Relative PSA0.24181
PolarSurfaceArea125.07
Druglikeness1.7643
Mutagenicnone
Tumorigenicnone
Reproductive Effectivelow
Irritantnone
Nasty Functions
Shape Index0.5
Fragments1
Non HAtoms40
NonCHAtoms12
Electronegative Atoms12
StereoCenters1
Rotatable Bond7
Rings Closures5
Small Rings5
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms17
Symmetricatoms9
Amides2
Amines1
AlkylAmines1
BasicNitrogens1
StereoConracemate

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