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(4E)-3-oxo-4-[[4-[6-[(2E)-2-[2-oxo-3-(phenylcarbamoyl)naphthalen-1-ylidene]hydrazinyl]-1,3-benzoxazol-2-yl]phenyl]hydrazinylidene]-N-phenylnaphthalene-2-carboxamide

Formula:C47H31N7O5 Mutagenic:high Tumorigenic:none Reproductive Effective:high (4E)-3-oxo-4-[[4-[6-[(2E)-2-[2-oxo-3-(phenylcarbamoyl)naphthalen-1-ylidene]hydrazinyl]-1,3-benzoxazol-2-yl]phenyl]hydrazinylidene]-N-phenylnaphthalene-2-carboxamide is not a drug-like molecule.
MolName(4E)-3-oxo-4-[[4-[6-[(2E)-2-[2-oxo-3-(phenylcarbamoyl)naphthalen-1-ylidene]hydrazinyl]-1,3-benzoxazol-2-yl]phenyl]hydrazinylidene]-N-phenylnaphthalene-2-carboxamide
MolecularFormulaC47H31N7O5
SmilesO=C(C(C1=O)=Cc(cccc2)c2/C1=N\Nc(cc1)ccc1-c1nc(ccc(N/N=C(\c(cccc2)c2C=C2C(Nc3ccccc3)=O)/C2=O)c2)c2o1)Nc1ccccc1
InChIInChI=1S/C47H31N7O5/c55-43-37(45(57)48-31-13-3-1-4-14-31)25-29-11-7-9-17-35(29)41(43)53-51-33-21-19-28(20-22-33)47-50-39-24-23-34(27-40(39)59-47)52-54-42-36-18-10-8-12-30(36)26-38(44(42)56)46(58)49-32-15-5-2-6-16-32/h1-27,51-52H,(H,48,57)(H,49,58)
InChIKKRNADTBDWLFACU-UHFFFAOYSA-N
TotalMolweight773.807
Molweight773.807
MonoisotopicMass773.238668
CLogP10.931
CLogS-11.34
H Acceptors12
H Donors4
TotalSurfaceArea580.31
Relative PSA0.25176
PolarSurfaceArea167.15
Druglikeness4.7483
Mutagenichigh
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.52542
Fragments1
Non HAtoms59
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond9
Rings Closures9
Small Rings9
Aromatic Rings7
Aromatic Atoms39
Symmetricatoms6
Amides2
Aromatic Nitrogens1
StereoCon

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