(5E)-5-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]imidazolidine-2,4-dione

Formula:C14H8N2O3BrClS Mutagenic:high Tumorigenic:none Reproductive Effective:none (5E)-5-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]imidazolidine-2,4-dione is a drug-like molecule.

MolName(5E)-5-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]imidazolidine-2,4-dione
MolecularFormulaC14H8N2O3BrClS
SmilesO=C(/C(/N1)=C\c(o2)cc(Br)c2Sc(cc2)ccc2Cl)NC1=O
InChIInChI=1S/C14H8BrClN2O3S/c15-10-5-8(6-11-12(19)18-14(20)17-11)21-13(10)22-9-3-1-7(16)2-4-9/h1-6H,(H2,17,18,19,20)
InChIKAHGKQJOBGXUHFF-UHFFFAOYSA-N
TotalMolweight399.652
Molweight399.652
MonoisotopicMass397.912751
CLogP3.3067
CLogS-5.537
H Acceptors5
H Donors2
TotalSurfaceArea243.88
Relative PSA0.33049
PolarSurfaceArea96.64
Druglikeness-1.8385
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! 5-methylene-imidazolidine-2,4-dione
Shape Index0.63636
Fragments1
Non HAtoms22
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond3
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms1
Symmetricatoms2
Amides2
StereoCon

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