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PUBCHEM-ZINC04831532

 MMsINC code: MMs03177252
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+/m0/s1

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Potential Energy
Epot(MMFF94)=91.0953 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: 0.111658  Sterimol/B1: 3.40556  Sterimol/B2: 3.50619  Sterimol/B3: 3.89266
  Sterimol/B4: 3.94715  Sterimol/L: 12.8491 
 
 Surface and Volume Properties
  Accessible surface: 398.255  Positive charged surface: 195.132  Negative charged surface: 203.123  Volume: 186.75
  Hydrophobic surface: 66.6995  Hydrophilic surface: 331.5555
 
 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.