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PUBCHEM-ZINC06761079

 MMsINC code: MMs03854375
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-/m1/s1

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Potential Energy
Epot(MMFF94)=35.2658 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: 0.2415  Sterimol/B1: 2.92436  Sterimol/B2: 2.96695  Sterimol/B3: 3.60846
  Sterimol/B4: 4.95723  Sterimol/L: 9.78651 
 
 Surface and Volume Properties
  Accessible surface: 336.13  Positive charged surface: 230.037  Negative charged surface: 106.092  Volume: 143.75
  Hydrophobic surface: 95.7096  Hydrophilic surface: 240.4204
 
 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


MMs03854376
PUBCHEM-ZINC06761079