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NCID-ZINC05201824

 MMsINC code: MMs02447702
Type: Neutral
Formula: C8H14O8
SMILES:   O(C(=O)C(O)C(O)C(O)C(O)C(OC)=O)C
InChI:   InChI=1/C8H14O8/c1-15-7(13)5(11)3(9)4(10)6(12)8(14)16-2/h3-6,9-12H,1-2H3/t3-,4+,5-,6+

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Potential Energy
Epot(MMFF94)=82.466 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.192 g/mol  logS: 0.40328  SlogP: -3.224  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0485121  Sterimol/B1: 3.04112  Sterimol/B2: 3.30332  Sterimol/B3: 3.46253
  Sterimol/B4: 4.47361  Sterimol/L: 14.2915 
 
 Surface and Volume Properties
  Accessible surface: 429.781  Positive charged surface: 323.516  Negative charged surface: 106.266  Volume: 199.875
  Hydrophobic surface: 234.751  Hydrophilic surface: 195.03
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: no related molecules available.