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(E)-N-[3-[(E)-3-[4-[(E)-3-oxo-3-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]prop-1-enyl]phenyl]prop-2-enoyl]phenyl]-3-phenylprop-2-enamide

Formula:C42H32N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[3-[(E)-3-[4-[(E)-3-oxo-3-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]prop-1-enyl]phenyl]prop-2-enoyl]phenyl]-3-phenylprop-2-enamide is not a drug-like molecule.
MolName(E)-N-[3-[(E)-3-[4-[(E)-3-oxo-3-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]prop-1-enyl]phenyl]prop-2-enoyl]phenyl]-3-phenylprop-2-enamide
MolecularFormulaC42H32N2O4
SmilesO=C(/C=C/c1ccc(/C=C/C(c2cccc(NC(/C=C/c3ccccc3)=O)c2)=O)cc1)c1cc(NC(/C=C/c2ccccc2)=O)ccc1
InChIInChI=1S/C42H32N2O4/c45-39(35-13-7-15-37(29-35)43-41(47)27-23-31-9-3-1-4-10-31)25-21-33-17-19-34(20-18-33)22-26-40(46)36-14-8-16-38(30-36)44-42(48)28-24-32-11-5-2-6-12-32/h1-30H,(H,43,47)(H,44,48)
InChIKQNLXZCLVRVOBOZ-UHFFFAOYSA-N
TotalMolweight628.726
Molweight628.726
MonoisotopicMass628.236208
CLogP7.9014
CLogS-9.828
H Acceptors6
H Donors2
TotalSurfaceArea512.22
Relative PSA0.14658
PolarSurfaceArea92.34
Druglikeness0.31783
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.66667
Fragments1
Non HAtoms48
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond12
Rings Closures5
Small Rings5
Aromatic Rings5
Aromatic Atoms30
Symmetricatoms27
Amides2
StereoCon

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