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ACROSORGANICS-ZINC00391103

 MMsINC code: MMs00007254
Type: Neutral
Formula: C6H5IO
SMILES:   Ic1ccc(O)cc1
InChI:   InChI=1/C6H5IO/c7-5-1-3-6(8)4-2-5/h1-4,8H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.7412 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.009 g/mol  logS: -2.01445  SlogP: 1.9968  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0134346  Sterimol/B1: 2.14307  Sterimol/B2: 2.42067  Sterimol/B3: 2.62516
  Sterimol/B4: 4.82276  Sterimol/L: 10.3446 
 
 Surface and Volume Properties
  Accessible surface: 308.919  Positive charged surface: 120.3  Negative charged surface: 188.619  Volume: 129.875
  Hydrophobic surface: 257.199  Hydrophilic surface: 51.72
 
 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.