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NCID-ZINC05664124

 MMsINC code: MMs02484895
Type: Neutral
Formula: C10H16O6
SMILES:   O1C2OC(OC2C(O)C1COC(=O)C)(C)C
InChI:   InChI=1/C10H16O6/c1-5(11)13-4-6-7(12)8-9(14-6)16-10(2,3)15-8/h6-9,12H,4H2,1-3H3/t6-,7+,8-,9+/m1/s1

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Potential Energy
Epot(MMFF94)=77.0171 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.232 g/mol  logS: -1.12024  SlogP: -0.2132  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.088916  Sterimol/B1: 2.46884  Sterimol/B2: 3.54363  Sterimol/B3: 3.67131
  Sterimol/B4: 5.55404  Sterimol/L: 14.2213 
 
 Surface and Volume Properties
  Accessible surface: 443.244  Positive charged surface: 293.437  Negative charged surface: 149.807  Volume: 209.375
  Hydrophobic surface: 266.072  Hydrophilic surface: 177.172
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.