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PUBCHEM-ZINC06361588

 MMsINC code: MMs03687084
Type: Neutral
Formula: C11H18O8
SMILES:   O1C(CO)C(O)C(O)C(O)C1OC(=O)C(CCO)=C
InChI:   InChI=1/C11H18O8/c1-5(2-3-12)10(17)19-11-9(16)8(15)7(14)6(4-13)18-11/h6-9,11-16H,1-4H2/t6-,7+,8+,9+,11-/m0/s1

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Potential Energy
Epot(MMFF94)=84.1335 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.257 g/mol  logS: 0.45404  SlogP: -2.7319  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.302159  Sterimol/B1: 2.79797  Sterimol/B2: 4.51457  Sterimol/B3: 5.74128
  Sterimol/B4: 5.8238  Sterimol/L: 11.8836 
 
 Surface and Volume Properties
  Accessible surface: 478.909  Positive charged surface: 340.787  Negative charged surface: 138.121  Volume: 242.125
  Hydrophobic surface: 193.602  Hydrophilic surface: 285.307
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.