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2-[3-[(E)-3-[4-[(E)-3-[3-(5-carboxy-1,3-dioxoisoindol-2-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid

Formula:C42H24N2O10 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[3-[(E)-3-[4-[(E)-3-[3-(5-carboxy-1,3-dioxoisoindol-2-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid is not a drug-like molecule.
MolName2-[3-[(E)-3-[4-[(E)-3-[3-(5-carboxy-1,3-dioxoisoindol-2-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid
MolecularFormulaC42H24N2O10
SmilesOC(c(cc1)cc(C(N2c3cccc(C(/C=C/c4ccc(/C=C/C(c5cccc(N(C(c(cc6)c7cc6C(O)=O)=O)C7=O)c5)=O)cc4)=O)c3)=O)c1C2=O)=O
InChIInChI=1S/C42H24N2O10/c45-35(25-3-1-5-29(19-25)43-37(47)31-15-13-27(41(51)52)21-33(31)39(43)49)17-11-23-7-9-24(10-8-23)12-18-36(46)26-4-2-6-30(20-26)44-38(48)32-16-14-28(42(53)54)22-34(32)40(44)50/h1-22H,(H,51,52)(H,53,54)
InChIKZCVMBTIUFVJXBD-UHFFFAOYSA-N
TotalMolweight716.657
Molweight716.657
MonoisotopicMass716.143098
CLogP5.5766
CLogS-9.798
H Acceptors12
H Donors2
TotalSurfaceArea513.6
Relative PSA0.26795
PolarSurfaceArea183.5
Druglikeness2.4335
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.55556
Fragments1
Non HAtoms54
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond10
Rings Closures7
Small Rings7
Aromatic Rings5
Aromatic Atoms30
Sp3Atoms2
Symmetricatoms28
Amides2
AcidicOxygens2
StereoCon

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