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PUBCHEM-ZINC02539191

 MMsINC code: MMs02896378
Type: Neutral
Formula: C6H10O6
SMILES:   O(C(=O)C(O)C(O)C(O)=O)CC
InChI:   InChI=1/C6H10O6/c1-2-12-6(11)4(8)3(7)5(9)10/h3-4,7-8H,2H2,1H3,(H,9,10)/t3-,4-/m0/s1

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Potential Energy
Epot(MMFF94)=27.9155 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.14 g/mol  logS: 0.08332  SlogP: -1.6441  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100273  Sterimol/B1: 2.50083  Sterimol/B2: 3.2168  Sterimol/B3: 3.27293
  Sterimol/B4: 4.53682  Sterimol/L: 11.7882 
 
 Surface and Volume Properties
  Accessible surface: 360.903  Positive charged surface: 226.112  Negative charged surface: 134.791  Volume: 149.375
  Hydrophobic surface: 136.532  Hydrophilic surface: 224.371
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02896379
PUBCHEM-ZINC02539191