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PUBCHEM-ZINC04831531

 MMsINC code: MMs03177251
Type: Neutral
Formula: C6H12Cl2O6
SMILES:   ClC(O)C(O)C(O)C(O)C(O)C(Cl)O
InChI:   InChI=1/C6H12Cl2O6/c7-5(13)3(11)1(9)2(10)4(12)6(8)14/h1-6,9-14H/t1-,2-,3+,4+,5-,6-/m1/s1

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Potential Energy
Epot(MMFF94)=92.3245 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.062 g/mol  logS: 0.33268  SlogP: -1.6158  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123261  Sterimol/B1: 3.00293  Sterimol/B2: 3.2871  Sterimol/B3: 3.34951
  Sterimol/B4: 3.8182  Sterimol/L: 12.8311 
 
 Surface and Volume Properties
  Accessible surface: 394.901  Positive charged surface: 187.147  Negative charged surface: 207.754  Volume: 187.625
  Hydrophobic surface: 72.3108  Hydrophilic surface: 322.5902
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.