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PUBCHEM-ZINC05712504

 MMsINC code: MMs03355694
Type: Neutral
Formula: C5H6IO2-
SMILES:   I[C-](C(=O)C)C(=O)C
InChI:   InChI=1/C5H6IO2/c1-3(7)5(6)4(2)8/h1-2H3/q-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.6746 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.005 g/mol  logS: -2.05777  SlogP: 1.13139  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0473781  Sterimol/B1: 2.37535  Sterimol/B2: 2.51209  Sterimol/B3: 3.71764
  Sterimol/B4: 4.39234  Sterimol/L: 9.31298 
 
 Surface and Volume Properties
  Accessible surface: 304.09  Positive charged surface: 119.715  Negative charged surface: 184.375  Volume: 128.5
  Hydrophobic surface: 142.37  Hydrophilic surface: 161.72
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 1  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.