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(Z)-4-[3-[(2-fluorophenyl)methyl]phenyl]-N-[5-[[(Z)-4-[3-[(2-fluorophenyl)methyl]phenyl]-4-hydroxy-2-oxobut-3-enoyl]amino]pentyl]-4-hydroxy-2-oxobut-3-enamide

Formula:C39H36N2O6F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-4-[3-[(2-fluorophenyl)methyl]phenyl]-N-[5-[[(Z)-4-[3-[(2-fluorophenyl)methyl]phenyl]-4-hydroxy-2-oxobut-3-enoyl]amino]pentyl]-4-hydroxy-2-oxobut-3-enamide is not a drug-like molecule.
MolName(Z)-4-[3-[(2-fluorophenyl)methyl]phenyl]-N-[5-[[(Z)-4-[3-[(2-fluorophenyl)methyl]phenyl]-4-hydroxy-2-oxobut-3-enoyl]amino]pentyl]-4-hydroxy-2-oxobut-3-enamide
MolecularFormulaC39H36N2O6F2
SmilesO/C(/c1cc(Cc(cccc2)c2F)ccc1)=C\C(C(NCCCCCNC(C(/C=C(/c1cccc(Cc(cccc2)c2F)c1)\O)=O)=O)=O)=O
InChIInChI=1S/C39H36F2N2O6/c40-32-16-4-2-12-28(32)20-26-10-8-14-30(22-26)34(44)24-36(46)38(48)42-18-6-1-7-19-43-39(49)37(47)25-35(45)31-15-9-11-27(23-31)21-29-13-3-5-17-33(29)41/h2-5,8-17,22-25,44-45H,1,6-7,18-21H2,(H,42,48)(H,43,49)
InChIKHQQSIDRCLRKCIW-UHFFFAOYSA-N
TotalMolweight666.719
Molweight666.719
MonoisotopicMass666.254144
CLogP5.2798
CLogS-7.368
H Acceptors8
H Donors4
TotalSurfaceArea517.6
Relative PSA0.19567
PolarSurfaceArea132.8
Druglikeness-5.4902
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.63265
Fragments1
Non HAtoms49
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond16
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms9
Symmetricatoms24
Amides2
StereoCon

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