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PUBCHEM-ZINC05998265

 MMsINC code: MMs03482296
Type: Neutral
Formula: C7H14O6
SMILES:   O(C(C(O)C(O)CO)C(=O)CO)C
InChI:   InChI=1/C7H14O6/c1-13-7(5(11)3-9)6(12)4(10)2-8/h4,6-10,12H,2-3H2,1H3/t4-,6-,7+/m1/s1

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Potential Energy
Epot(MMFF94)=77.3607 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.183 g/mol  logS: 0.74563  SlogP: -2.7231  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.162503  Sterimol/B1: 2.16799  Sterimol/B2: 3.08247  Sterimol/B3: 3.64363
  Sterimol/B4: 7.18766  Sterimol/L: 10.7808 
 
 Surface and Volume Properties
  Accessible surface: 380.21  Positive charged surface: 286.671  Negative charged surface: 93.5388  Volume: 172.625
  Hydrophobic surface: 184.276  Hydrophilic surface: 195.934
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.