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ACROSORGANICS-ZINC00388461

 MMsINC code: MMs00007022
Type: Neutral
Formula: C6H6O3
SMILES:   Oc1cc(O)cc(O)c1
InChI:   InChI=1/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.6766 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 126.111 g/mol  logS: -0.29903  SlogP: 0.8034  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0361703  Sterimol/B1: 2.19373  Sterimol/B2: 2.38509  Sterimol/B3: 2.96439
  Sterimol/B4: 5.34922  Sterimol/L: 8.46632 
 
 Surface and Volume Properties
  Accessible surface: 291.709  Positive charged surface: 176.69  Negative charged surface: 115.018  Volume: 112.375
  Hydrophobic surface: 135.78  Hydrophilic surface: 155.929
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.