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4-[3-[(E)-3-[4-[(E)-3-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Formula:C42H32N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[3-[(E)-3-[4-[(E)-3-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is not a drug-like molecule.
MolName4-[3-[(E)-3-[4-[(E)-3-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
MolecularFormulaC42H32N2O6
SmilesO=C(/C=C/c1ccc(/C=C/C(c2cccc(N(C(C3C4C5C=CC3C5)=O)C4=O)c2)=O)cc1)c1cc(N(C(C2C3C4C=CC2C4)=O)C3=O)ccc1
InChIInChI=1S/C42H32N2O6/c45-33(25-3-1-5-31(21-25)43-39(47)35-27-13-14-28(19-27)36(35)40(43)48)17-11-23-7-9-24(10-8-23)12-18-34(46)26-4-2-6-32(22-26)44-41(49)37-29-15-16-30(20-29)38(37)42(44)50/h1-18,21-22,27-30,35-38H,19-20H2
InChIKPQXXVDIJRHWNPM-UHFFFAOYSA-N
TotalMolweight660.724
Molweight660.724
MonoisotopicMass660.226038
CLogP4.78
CLogS-9.144
H Acceptors8
TotalSurfaceArea472.4
Relative PSA0.18065
PolarSurfaceArea108.9
Druglikeness3.4624
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantlow
Nasty Functions
Shape Index0.52
Fragments1
Non HAtoms50
NonCHAtoms8
Electronegative Atoms8
StereoCenters8
Rotatable Bond8
Rings Closures9
Small Rings11
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms10
Symmetricatoms31
Amides2
StereoConunknown chirality

Request More Details | 4-[3-[(E)-3-[4-[(E)-3-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione


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