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PUBCHEM-ZINC05509740

 MMsINC code: MMs03291475
Type: Neutral
Formula: C14H24O8
SMILES:   O1C(C(O)=O)C(O)C(O)C(O)C1OC(=O)C(CCC)CCC
InChI:   InChI=1/C14H24O8/c1-3-5-7(6-4-2)13(20)22-14-10(17)8(15)9(16)11(21-14)12(18)19/h7-11,14-17H,3-6H2,1-2H3,(H,18,19)/t8-,9-,10+,11-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=67.5475 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.338 g/mol  logS: -2.03092  SlogP: -0.3618  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0436423  Sterimol/B1: 2.25138  Sterimol/B2: 2.90865  Sterimol/B3: 2.98034
  Sterimol/B4: 8.91727  Sterimol/L: 14.645 
 
 Surface and Volume Properties
  Accessible surface: 570.366  Positive charged surface: 396.231  Negative charged surface: 174.135  Volume: 292.875
  Hydrophobic surface: 296.725  Hydrophilic surface: 273.641
 
 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


MMs03291476
PUBCHEM-ZINC05509740