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ACROSORGANICS-ZINC03861066

 MMsINC code: MMs00015730
Type: Neutral
Formula: C6H3I3O
SMILES:   Ic1cc(I)cc(I)c1O
InChI:   InChI=1/C6H3I3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.8014 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 471.801 g/mol  logS: -3.99749  SlogP: 3.206  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0130769  Sterimol/B1: 2.5012  Sterimol/B2: 2.52375  Sterimol/B3: 4.17676
  Sterimol/B4: 6.57304  Sterimol/L: 10.3472 
 
 Surface and Volume Properties
  Accessible surface: 393.346  Positive charged surface: 69.7461  Negative charged surface: 323.6  Volume: 191.5
  Hydrophobic surface: 359.338  Hydrophilic surface: 34.008
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.