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PUBCHEM-ZINC05784743

 MMsINC code: MMs03384965
Type: Neutral
Formula: C6H5IO2
SMILES:   Ic1cc(O)ccc1O
InChI:   InChI=1/C6H5IO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.9149 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.008 g/mol  logS: -1.6525  SlogP: 1.7024  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0184951  Sterimol/B1: 2.1923  Sterimol/B2: 2.59528  Sterimol/B3: 2.64691
  Sterimol/B4: 6.24718  Sterimol/L: 9.00294 
 
 Surface and Volume Properties
  Accessible surface: 316.857  Positive charged surface: 135.762  Negative charged surface: 181.096  Volume: 136.125
  Hydrophobic surface: 222.47  Hydrophilic surface: 94.387
 
 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.