3-[5-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzoate

Formula:C22H14N2O5F Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[5-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzoate is a drug-like molecule.

MolName3-[5-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzoate
MolecularFormulaC22H14N2O5F
Smiles[O-]C(c1cccc(-c2ccc(/C=C(/C(N3Cc(cccc4)c4F)=O)\NC3=O)o2)c1)=O
InChIInChI=1S/C22H15FN2O5/c23-17-7-2-1-4-15(17)12-25-20(26)18(24-22(25)29)11-16-8-9-19(30-16)13-5-3-6-14(10-13)21(27)28/h1-11H,12H2,(H,24,29)(H,27,28)/p-1
InChIKOIJLHUPTLVXSOM-UHFFFAOYSA-M
TotalMolweight405.36
Molweight405.36
MonoisotopicMass405.088676
CLogP0.9881
CLogS-5.484
H Acceptors7
H Donors1
TotalSurfaceArea296.33
Relative PSA0.27847
PolarSurfaceArea102.68
Druglikeness4.4564
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! 5-methylene-imidazolidine-2,4-dione
Shape Index0.56667
Fragments1
Non HAtoms30
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms2
Amides2
AcidicOxygens1
StereoCon

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