(5E)-5-[[5-(3-oxo-1H-2-benzofuran-5-yl)furan-2-yl]methylidene]imidazolidine-2,4-dione

Formula:C16H10N2O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none (5E)-5-[[5-(3-oxo-1H-2-benzofuran-5-yl)furan-2-yl]methylidene]imidazolidine-2,4-dione is a drug-like molecule.

MolName(5E)-5-[[5-(3-oxo-1H-2-benzofuran-5-yl)furan-2-yl]methylidene]imidazolidine-2,4-dione
MolecularFormulaC16H10N2O5
SmilesO=C(/C(/N1)=C\c2ccc(-c3cc(C(OC4)=O)c4cc3)o2)NC1=O
InChIInChI=1S/C16H10N2O5/c19-14-12(17-16(21)18-14)6-10-3-4-13(23-10)8-1-2-9-7-22-15(20)11(9)5-8/h1-6H,7H2,(H2,17,18,19,21)
InChIKOEWLLOOGBGKHTE-UHFFFAOYSA-N
TotalMolweight310.264
Molweight310.264
MonoisotopicMass310.058973
CLogP0.8614
CLogS-4.574
H Acceptors7
H Donors2
TotalSurfaceArea220.35
Relative PSA0.39097
PolarSurfaceArea97.64
Druglikeness3.9439
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! 5-methylene-imidazolidine-2,4-dione
Shape Index0.56522
Fragments1
Non HAtoms23
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond2
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms2
Amides2
StereoCon

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