[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (E)-3-(furan-2-yl)prop-2-enoate

Formula:C17H14N2O5 Mutagenic:high Tumorigenic:none Reproductive Effective:none [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.

MolName[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (E)-3-(furan-2-yl)prop-2-enoate
MolecularFormulaC17H14N2O5
SmilesO=C(COC(/C=C/c1ccco1)=O)N(C1)c(cccc2)c2NC1=O
InChIInChI=1S/C17H14N2O5/c20-15-10-19(14-6-2-1-5-13(14)18-15)16(21)11-24-17(22)8-7-12-4-3-9-23-12/h1-9H,10-11H2,(H,18,20)
InChIKZXVAOXMLWAPLPL-UHFFFAOYSA-N
TotalMolweight326.307
Molweight326.307
MonoisotopicMass326.090273
CLogP0.9062
CLogS-3.247
H Acceptors7
H Donors1
TotalSurfaceArea248.24
Relative PSA0.31518
PolarSurfaceArea88.85
Druglikeness2.575
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.58333
Fragments1
Non HAtoms24
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond5
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms3
Amides2
StereoCon

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