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PUBCHEM-ZINC06777779

 MMsINC code: MMs03858170
Type: Neutral
Formula: C13H24O10
SMILES:   O1C(CO)C(O)C(O)C(O)C1OCCC(O)(O)COC(=O)CC
InChI:   InChI=1/C13H24O10/c1-2-8(15)22-6-13(19,20)3-4-21-12-11(18)10(17)9(16)7(5-14)23-12/h7,9-12,14,16-20H,2-6H2,1H3/t7-,9+,10+,11-,12+/m0/s1

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Potential Energy
Epot(MMFF94)=78.9858 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.325 g/mol  logS: 0.43482  SlogP: -3.1729  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0542755  Sterimol/B1: 2.75555  Sterimol/B2: 4.35622  Sterimol/B3: 4.87624
  Sterimol/B4: 5.39084  Sterimol/L: 18.1875 
 
 Surface and Volume Properties
  Accessible surface: 595.97  Positive charged surface: 445.429  Negative charged surface: 150.541  Volume: 294.5
  Hydrophobic surface: 286.726  Hydrophilic surface: 309.244
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 9  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.