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(Z)-4-[3-[(2-fluorophenyl)methyl]phenyl]-N-[2-[[(Z)-4-[3-[(2-fluorophenyl)methyl]phenyl]-4-hydroxy-2-oxobut-3-enoyl]amino]ethyl]-4-hydroxy-2-oxobut-3-enamide

Formula:C36H30N2O6F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-4-[3-[(2-fluorophenyl)methyl]phenyl]-N-[2-[[(Z)-4-[3-[(2-fluorophenyl)methyl]phenyl]-4-hydroxy-2-oxobut-3-enoyl]amino]ethyl]-4-hydroxy-2-oxobut-3-enamide is not a drug-like molecule.
MolName(Z)-4-[3-[(2-fluorophenyl)methyl]phenyl]-N-[2-[[(Z)-4-[3-[(2-fluorophenyl)methyl]phenyl]-4-hydroxy-2-oxobut-3-enoyl]amino]ethyl]-4-hydroxy-2-oxobut-3-enamide
MolecularFormulaC36H30N2O6F2
SmilesO/C(/c1cc(Cc(cccc2)c2F)ccc1)=C\C(C(NCCNC(C(/C=C(/c1cccc(Cc(cccc2)c2F)c1)\O)=O)=O)=O)=O
InChIInChI=1S/C36H30F2N2O6/c37-29-13-3-1-9-25(29)17-23-7-5-11-27(19-23)31(41)21-33(43)35(45)39-15-16-40-36(46)34(44)22-32(42)28-12-6-8-24(20-28)18-26-10-2-4-14-30(26)38/h1-14,19-22,41-42H,15-18H2,(H,39,45)(H,40,46)
InChIKXYAXSGZGLJSILG-UHFFFAOYSA-N
TotalMolweight624.638
Molweight624.638
MonoisotopicMass624.207194
CLogP3.9166
CLogS-6.558
H Acceptors8
H Donors4
TotalSurfaceArea476.32
Relative PSA0.21263
PolarSurfaceArea132.8
Druglikeness-0.725
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.6087
Fragments1
Non HAtoms46
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond13
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms6
Symmetricatoms23
Amides2
StereoCon

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