(5E)-5-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione

Formula:C17H12N2O3Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-5-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione is a drug-like molecule.

MolName(5E)-5-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
MolecularFormulaC17H12N2O3Br2
SmilesO=C(/C(/N1)=C\c(cc2)cc(Br)c2OCc(cc2)ccc2Br)NC1=O
InChIInChI=1S/C17H12Br2N2O3/c18-12-4-1-10(2-5-12)9-24-15-6-3-11(7-13(15)19)8-14-16(22)21-17(23)20-14/h1-8H,9H2,(H2,20,21,22,23)
InChIKJRUIGGNTQZDKGW-UHFFFAOYSA-N
TotalMolweight452.101
Molweight452.101
MonoisotopicMass449.921465
CLogP3.6668
CLogS-5.745
H Acceptors5
H Donors2
TotalSurfaceArea263.67
Relative PSA0.22376
PolarSurfaceArea67.43
Druglikeness1.1531
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! 5-methylene-imidazolidine-2,4-dione
Shape Index0.66667
Fragments1
Non HAtoms24
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond4
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms2
Symmetricatoms2
Amides2
StereoCon

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