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PUBCHEM-ZINC05783951

 MMsINC code: MMs03384549
Type: Neutral
Formula: C6H4I2O2
SMILES:   Ic1cc(O)cc(I)c1O
InChI:   InChI=1/C6H4I2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2,9-10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.7884 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.904 g/mol  logS: -2.64402  SlogP: 2.307  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0269792  Sterimol/B1: 2.35122  Sterimol/B2: 2.36609  Sterimol/B3: 4.17252
  Sterimol/B4: 6.57503  Sterimol/L: 9.04725 
 
 Surface and Volume Properties
  Accessible surface: 363.023  Positive charged surface: 110.985  Negative charged surface: 252.038  Volume: 169.25
  Hydrophobic surface: 277.173  Hydrophilic surface: 85.85
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  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.