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NCID-ZINC04353288

 MMsINC code: MMs02383682
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-/m1/s1

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Potential Energy
Epot(MMFF94)=59.4257 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: 0.281186  Sterimol/B1: 3.17489  Sterimol/B2: 3.30081  Sterimol/B3: 4.79392
  Sterimol/B4: 6.03897  Sterimol/L: 12.2943 
 
 Surface and Volume Properties
  Accessible surface: 443.448  Positive charged surface: 362.446  Negative charged surface: 81.0021  Volume: 216.5
  Hydrophobic surface: 299.93  Hydrophilic surface: 143.518
 
 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.