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2-(1,3-dioxoisoindol-2-yl)-N-[(6Z,12Z)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-6,12-diphenylbenzo[c][1,5]benzodiazocin-8-yl]acetamide

Formula:C46H30N6O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(1,3-dioxoisoindol-2-yl)-N-[(6Z,12Z)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-6,12-diphenylbenzo[c][1,5]benzodiazocin-8-yl]acetamide is not a drug-like molecule.
MolName2-(1,3-dioxoisoindol-2-yl)-N-[(6Z,12Z)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-6,12-diphenylbenzo[c][1,5]benzodiazocin-8-yl]acetamide
MolecularFormulaC46H30N6O6
SmilesO=C(CN(C(c1c2cccc1)=O)C2=O)NC1=C/C2=C(\c3ccccc3)/N=C(/C=CC(NC(CN(C(c3c4cccc3)=O)C4=O)=O)=C3)\C3=C(\c3ccccc3)/N=C2/C=C1
InChIInChI=1S/C46H30N6O6/c53-39(25-51-43(55)31-15-7-8-16-32(31)44(51)56)47-29-19-21-37-35(23-29)41(27-11-3-1-4-12-27)49-38-22-20-30(24-36(38)42(50-37)28-13-5-2-6-14-28)48-40(54)26-52-45(57)33-17-9-10-18-34(33)46(52)58/h1-24H,25-26H2,(H,47,53)(H,48,54)
InChIKWYTPZVSRROHZDN-UHFFFAOYSA-N
TotalMolweight762.78
Molweight762.78
MonoisotopicMass762.222684
CLogP4.5008
CLogS-7.126
H Acceptors12
H Donors2
TotalSurfaceArea556.78
Relative PSA0.23578
PolarSurfaceArea157.68
Druglikeness5.1267
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.43103
Fragments1
Non HAtoms58
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond8
Rings Closures9
Small Rings8
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms2
Symmetricatoms36
Amides4
BasicNitrogens2
StereoCon

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