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PUBCHEM-ZINC04097163

 MMsINC code: MMs03090317
Type: Neutral
Formula: C6H10O5
SMILES:   O1CC(O)C(O)C1C(O)C=O
InChI:   InChI=1/C6H10O5/c7-1-3(8)6-5(10)4(9)2-11-6/h1,3-6,8-10H,2H2/t3-,4-,5+,6-/m1/s1

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Potential Energy
Epot(MMFF94)=54.4529 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.141 g/mol  logS: 0.69305  SlogP: -2.3332  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.2093  Sterimol/B1: 2.38896  Sterimol/B2: 2.51582  Sterimol/B3: 4.08212
  Sterimol/B4: 5.03266  Sterimol/L: 9.82332 
 
 Surface and Volume Properties
  Accessible surface: 323.432  Positive charged surface: 233.279  Negative charged surface: 90.1529  Volume: 138
  Hydrophobic surface: 125.473  Hydrophilic surface: 197.959
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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: no related molecules available.