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NCID-ZINC01684636

 MMsINC code: MMs02318012
Type: Neutral
Formula: C10H16O6
SMILES:   O1CC(OCC1COC(=O)C)COC(=O)C
InChI:   InChI=1/C10H16O6/c1-7(11)13-3-9-5-16-10(6-15-9)4-14-8(2)12/h9-10H,3-6H2,1-2H3/t9-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=55.341 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.232 g/mol  logS: -0.85572  SlogP: -0.1034  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0811744  Sterimol/B1: 2.67337  Sterimol/B2: 3.36851  Sterimol/B3: 4.69332
  Sterimol/B4: 4.98709  Sterimol/L: 15.5726 
 
 Surface and Volume Properties
  Accessible surface: 471.501  Positive charged surface: 331.193  Negative charged surface: 140.308  Volume: 214
  Hydrophobic surface: 353.874  Hydrophilic surface: 117.627
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.