(Z)-4-hydroxy-N-[4-[[(Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoyl]amino]phenyl]-2-oxo-4-phenylbut-3-enamide

Formula:C26H20N2O6 Mutagenic:high Tumorigenic:high Reproductive Effective:none (Z)-4-hydroxy-N-[4-[[(Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoyl]amino]phenyl]-2-oxo-4-phenylbut-3-enamide is a drug-like molecule.

MolName(Z)-4-hydroxy-N-[4-[[(Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoyl]amino]phenyl]-2-oxo-4-phenylbut-3-enamide
MolecularFormulaC26H20N2O6
SmilesO/C(/c1ccccc1)=C\C(C(Nc(cc1)ccc1NC(C(/C=C(/c1ccccc1)\O)=O)=O)=O)=O
InChIInChI=1S/C26H20N2O6/c29-21(17-7-3-1-4-8-17)15-23(31)25(33)27-19-11-13-20(14-12-19)28-26(34)24(32)16-22(30)18-9-5-2-6-10-18/h1-16,29-30H,(H,27,33)(H,28,34)
InChIKIKDAQWSORDIMRG-UHFFFAOYSA-N
TotalMolweight456.453
Molweight456.453
MonoisotopicMass456.132138
CLogP2.0056
CLogS-4.29
H Acceptors8
H Donors4
TotalSurfaceArea348.82
Relative PSA0.29035
PolarSurfaceArea132.8
Druglikeness-0.4753
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.64706
Fragments1
Non HAtoms34
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond8
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Symmetricatoms20
Amides2
StereoCon

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