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(Z)-4-[3-[(2-fluorophenyl)methyl]phenyl]-N-[6-[[(Z)-4-[3-[(2-fluorophenyl)methyl]phenyl]-4-hydroxy-2-oxobut-3-enoyl]amino]hexyl]-4-hydroxy-2-oxobut-3-enamide

Formula:C40H38N2O6F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-4-[3-[(2-fluorophenyl)methyl]phenyl]-N-[6-[[(Z)-4-[3-[(2-fluorophenyl)methyl]phenyl]-4-hydroxy-2-oxobut-3-enoyl]amino]hexyl]-4-hydroxy-2-oxobut-3-enamide is not a drug-like molecule.
MolName(Z)-4-[3-[(2-fluorophenyl)methyl]phenyl]-N-[6-[[(Z)-4-[3-[(2-fluorophenyl)methyl]phenyl]-4-hydroxy-2-oxobut-3-enoyl]amino]hexyl]-4-hydroxy-2-oxobut-3-enamide
MolecularFormulaC40H38N2O6F2
SmilesO/C(/c1cc(Cc(cccc2)c2F)ccc1)=C\C(C(NCCCCCCNC(C(/C=C(/c1cccc(Cc(cccc2)c2F)c1)\O)=O)=O)=O)=O
InChIInChI=1S/C40H38F2N2O6/c41-33-17-5-3-13-29(33)21-27-11-9-15-31(23-27)35(45)25-37(47)39(49)43-19-7-1-2-8-20-44-40(50)38(48)26-36(46)32-16-10-12-28(24-32)22-30-14-4-6-18-34(30)42/h3-6,9-18,23-26,45-46H,1-2,7-8,19-22H2,(H,43,49)(H,44,50)
InChIKQSIZCLPYZNFPNL-UHFFFAOYSA-N
TotalMolweight680.746
Molweight680.746
MonoisotopicMass680.269794
CLogP5.7342
CLogS-7.638
H Acceptors8
H Donors4
TotalSurfaceArea531.36
Relative PSA0.19061
PolarSurfaceArea132.8
Druglikeness-7.8202
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.64
Fragments1
Non HAtoms50
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond17
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms10
Symmetricatoms25
Amides2
StereoCon

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