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PUBCHEM-ZINC05850963

 MMsINC code: MMs03416717
Type: Neutral
Formula: C6H10O6
SMILES:   O1C(O)C(O)C(O)CC1C(O)=O
InChI:   InChI=1/C6H10O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h2-4,6-8,11H,1H2,(H,9,10)/t2-,3-,4+,6+/m0/s1

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Potential Energy
Epot(MMFF94)=37.3422 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.14 g/mol  logS: 0.64726  SlogP: -2.0999  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116651  Sterimol/B1: 2.68103  Sterimol/B2: 3.09224  Sterimol/B3: 3.61872
  Sterimol/B4: 5.38225  Sterimol/L: 10.6566 
 
 Surface and Volume Properties
  Accessible surface: 341.315  Positive charged surface: 227.125  Negative charged surface: 114.189  Volume: 144.75
  Hydrophobic surface: 91.9132  Hydrophilic surface: 249.4018
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs03416718
PUBCHEM-ZINC05850963