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NCID-ZINC05810285

 MMsINC code: MMs02499944
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-/m0/s1

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Potential Energy
Epot(MMFF94)=94.9469 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: 0.245465  Sterimol/B1: 2.15665  Sterimol/B2: 4.3183  Sterimol/B3: 5.28648
  Sterimol/B4: 6.13531  Sterimol/L: 12.8968 
 
 Surface and Volume Properties
  Accessible surface: 493.239  Positive charged surface: 373.154  Negative charged surface: 120.084  Volume: 265.875
  Hydrophobic surface: 323.651  Hydrophilic surface: 169.588
 
 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.