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N-[(E)-2-[4-[(Z)-2-amino-2-(4,9-dioxo-1H-benzo[f]benzimidazol-2-yl)ethenyl]phenyl]-1-(4,9-dioxo-1H-benzo[f]benzimidazol-2-yl)ethenyl]benzamide

Formula:C39H24N6O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-2-[4-[(Z)-2-amino-2-(4,9-dioxo-1H-benzo[f]benzimidazol-2-yl)ethenyl]phenyl]-1-(4,9-dioxo-1H-benzo[f]benzimidazol-2-yl)ethenyl]benzamide is not a drug-like molecule.
MolNameN-[(E)-2-[4-[(Z)-2-amino-2-(4,9-dioxo-1H-benzo[f]benzimidazol-2-yl)ethenyl]phenyl]-1-(4,9-dioxo-1H-benzo[f]benzimidazol-2-yl)ethenyl]benzamide
MolecularFormulaC39H24N6O5
SmilesN/C(/c1nc(C(c(cccc2)c2C2=O)=O)c2[nH]1)=C\c1ccc(/C=C(\c2nc(C(c(cccc3)c3C3=O)=O)c3[nH]2)/NC(c2ccccc2)=O)cc1
InChIInChI=1S/C39H24N6O5/c40-27(37-42-29-30(43-37)34(47)24-11-5-4-10-23(24)33(29)46)18-20-14-16-21(17-15-20)19-28(41-39(50)22-8-2-1-3-9-22)38-44-31-32(45-38)36(49)26-13-7-6-12-25(26)35(31)48/h1-19H,40H2,(H,41,50)(H,42,43)(H,44,45)
InChIKJYQVMWJDOAEQJQ-UHFFFAOYSA-N
TotalMolweight656.657
Molweight656.657
MonoisotopicMass656.180819
CLogP4.7828
CLogS-8.996
H Acceptors11
H Donors4
TotalSurfaceArea479.87
Relative PSA0.2956
PolarSurfaceArea180.76
Druglikeness3.22
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions2,3-diamino-quinone
Shape Index0.44
Fragments1
Non HAtoms50
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond6
Rings Closures8
Small Rings8
Aromatic Rings6
Aromatic Atoms34
Sp3Atoms1
Symmetricatoms4
Amides1
Aromatic Nitrogens4
BasicNitrogens1
StereoCon

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