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PUBCHEM-ZINC05426392

 MMsINC code: MMs03267043
Type: Neutral
Formula: C13H24O10
SMILES:   O1C(CO)C(O)C(O)C(O)C1OC1C(O)C(O)C(O)CC1CO
InChI:   InChI=1/C13H24O10/c14-2-4-1-5(16)7(17)10(20)12(4)23-13-11(21)9(19)8(18)6(3-15)22-13/h4-21H,1-3H2/t4-,5+,6-,7+,8+,9+,10+,11+,12-,13+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=128.065 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.325 g/mol  logS: 1.28799  SlogP: -4.7336  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115701  Sterimol/B1: 2.63978  Sterimol/B2: 4.19501  Sterimol/B3: 5.1001
  Sterimol/B4: 5.98685  Sterimol/L: 12.5574 
 
 Surface and Volume Properties
  Accessible surface: 534.796  Positive charged surface: 431.463  Negative charged surface: 103.334  Volume: 288.25
  Hydrophobic surface: 220.084  Hydrophilic surface: 314.712
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 10  Acid groups: 0  Basic groups: 0
  Chiral centers: 10
 
 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.