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ACROSORGANICS-ZINC00164796

 MMsINC code: MMs00006282
Type: Neutral
Formula: C6H8O2
SMILES:   o1cccc1C(O)C
InChI:   InChI=1/C6H8O2/c1-5(7)6-3-2-4-8-6/h2-5,7H,1H3/t5-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.0934 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 112.128 g/mol  logS: -1.23468  SlogP: 1.4284  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.157097  Sterimol/B1: 2.17869  Sterimol/B2: 3.11358  Sterimol/B3: 3.41316
  Sterimol/B4: 3.66144  Sterimol/L: 9.34494 
 
 Surface and Volume Properties
  Accessible surface: 291.278  Positive charged surface: 165.472  Negative charged surface: 125.806  Volume: 113.25
  Hydrophobic surface: 210.316  Hydrophilic surface: 80.962
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.