(E)-3-phenyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]-1,2,5-oxadiazol-3-yl]prop-2-enamide

Formula:C20H16N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-phenyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]-1,2,5-oxadiazol-3-yl]prop-2-enamide is a drug-like molecule.

MolName(E)-3-phenyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]-1,2,5-oxadiazol-3-yl]prop-2-enamide
MolecularFormulaC20H16N4O3
SmilesO=C(/C=C/c1ccccc1)Nc1nonc1NC(/C=C/c1ccccc1)=O
InChIInChI=1S/C20H16N4O3/c25-17(13-11-15-7-3-1-4-8-15)21-19-20(24-27-23-19)22-18(26)14-12-16-9-5-2-6-10-16/h1-14H,(H,21,23,25)(H,22,24,26)
InChIKYBZZPQVUXNCZRV-UHFFFAOYSA-N
TotalMolweight360.372
Molweight360.372
MonoisotopicMass360.122241
CLogP3.8271
CLogS-4.673
H Acceptors7
H Donors2
TotalSurfaceArea291.41
Relative PSA0.29186
PolarSurfaceArea97.12
Druglikeness1.1745
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.66667
Fragments1
Non HAtoms27
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms17
Symmetricatoms15
Amides2
Aromatic Nitrogens2
StereoCon

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