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NCID-ZINC04353286

 MMsINC code: MMs02383680
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+/m0/s1

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Potential Energy
Epot(MMFF94)=58.1272 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: 0.0904232  Sterimol/B1: 2.36714  Sterimol/B2: 4.012  Sterimol/B3: 4.12506
  Sterimol/B4: 4.60333  Sterimol/L: 14.2624 
 
 Surface and Volume Properties
  Accessible surface: 459.557  Positive charged surface: 370.299  Negative charged surface: 89.2576  Volume: 216.5
  Hydrophobic surface: 309.291  Hydrophilic surface: 150.266
 
 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.