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NCID-ZINC04353287

 MMsINC code: MMs02383681
Type: Neutral
Formula: C10H14O8
SMILES:   O1COC2C(OCOC2C(OC)=O)C1C(OC)=O
InChI:   InChI=1/C10H14O8/c1-13-9(11)7-5-6(16-3-17-7)8(10(12)14-2)18-4-15-5/h5-8H,3-4H2,1-2H3/t5-,6+,7+,8-

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Potential Energy
Epot(MMFF94)=64.5154 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.214 g/mol  logS: -0.68612  SlogP: -1.1846  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120842  Sterimol/B1: 3.57434  Sterimol/B2: 4.0148  Sterimol/B3: 4.4057
  Sterimol/B4: 5.49222  Sterimol/L: 13.1441 
 
 Surface and Volume Properties
  Accessible surface: 431.434  Positive charged surface: 354.601  Negative charged surface: 76.8337  Volume: 216.5
  Hydrophobic surface: 293.988  Hydrophilic surface: 137.446
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.