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ACROSORGANICS-ZINC00001541

 MMsINC code: MMs00002618
Type: Neutral
Formula: C6H6O2
SMILES:   Oc1ccc(O)cc1
InChI:   InChI=1/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.808 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 110.112 g/mol  logS: -0.66098  SlogP: 1.0978  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0188167  Sterimol/B1: 2.18104  Sterimol/B2: 2.34575  Sterimol/B3: 2.42039
  Sterimol/B4: 4.82319  Sterimol/L: 9.0557 
 
 Surface and Volume Properties
  Accessible surface: 274.879  Positive charged surface: 162.069  Negative charged surface: 112.81  Volume: 105.625
  Hydrophobic surface: 171.439  Hydrophilic surface: 103.44
 
 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.