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PUBCHEM-ZINC04096062

 MMsINC code: MMs03089704
Type: Neutral
Formula: C6H10O6
SMILES:   O1C(C=O)C(O)C(O)C(O)C1O
InChI:   InChI=1/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h1-6,8-11H/t2-,3+,4+,5-,6+/m1/s1

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Potential Energy
Epot(MMFF94)=57.8149 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.14 g/mol  logS: 1.01486  SlogP: -3.0148  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.227232  Sterimol/B1: 2.92773  Sterimol/B2: 3.06125  Sterimol/B3: 3.58181
  Sterimol/B4: 4.56021  Sterimol/L: 9.59706 
 
 Surface and Volume Properties
  Accessible surface: 324.196  Positive charged surface: 227.101  Negative charged surface: 97.0946  Volume: 143.625
  Hydrophobic surface: 94.3775  Hydrophilic surface: 229.8185
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.