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PUBCHEM-ZINC06777777

 MMsINC code: MMs03858169
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)=86.9843 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: 0.0567976  Sterimol/B1: 2.89676  Sterimol/B2: 4.29154  Sterimol/B3: 4.31436
  Sterimol/B4: 5.3274  Sterimol/L: 18.1839 
 
 Surface and Volume Properties
  Accessible surface: 593.886  Positive charged surface: 449.17  Negative charged surface: 144.716  Volume: 296.875
  Hydrophobic surface: 290.088  Hydrophilic surface: 303.798
 
 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.