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NCID-ZINC05810282

 MMsINC code: MMs02499941
Type: Neutral
Formula: C13H24O6
SMILES:   O1C(C)C(OC(=O)C(C)(C)C)C(O)(C)C(O)C1OC
InChI:   InChI=1/C13H24O6/c1-7-9(19-11(15)12(2,3)4)13(5,16)8(14)10(17-6)18-7/h7-10,14,16H,1-6H3/t7-,8-,9+,10-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=83.6024 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.329 g/mol  logS: -1.17557  SlogP: 0.4474  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.250807  Sterimol/B1: 2.36818  Sterimol/B2: 2.66503  Sterimol/B3: 5.86277
  Sterimol/B4: 6.74492  Sterimol/L: 12.9448 
 
 Surface and Volume Properties
  Accessible surface: 488.896  Positive charged surface: 371.469  Negative charged surface: 117.427  Volume: 266.75
  Hydrophobic surface: 323.257  Hydrophilic surface: 165.639
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.