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ASINEX-ZINC04743000

 MMsINC code: MMs00368830
Type: Neutral
Formula: C6H5IO2
SMILES:   [I+2]([O-])([O-])c1ccccc1
InChI:   InChI=1/C6H5IO2/c8-7(9)6-4-2-1-3-5-6/h1-5H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.4361 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.008 g/mol  logS: -2.07744  SlogP: -0.9725  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0648839  Sterimol/B1: 2.96135  Sterimol/B2: 3.2739  Sterimol/B3: 3.5572
  Sterimol/B4: 3.9942  Sterimol/L: 10.0176 
 
 Surface and Volume Properties
  Accessible surface: 321.403  Positive charged surface: 145.047  Negative charged surface: 176.355  Volume: 135.5
  Hydrophobic surface: 191.987  Hydrophilic surface: 129.416
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.