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PUBCHEM-ZINC02043212

 MMsINC code: MMs02863952
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)=66.8482 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: 0.158676  Sterimol/B1: 2.38691  Sterimol/B2: 3.38925  Sterimol/B3: 3.55238
  Sterimol/B4: 6.57187  Sterimol/L: 11.8672 
 
 Surface and Volume Properties
  Accessible surface: 390.773  Positive charged surface: 294.516  Negative charged surface: 96.2567  Volume: 173.375
  Hydrophobic surface: 183.481  Hydrophilic surface: 207.292
 
 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.