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PUBCHEM-ZINC00895040

 MMsINC code: MMs02741636
Type: Neutral
Formula: C6H12O6
SMILES:   O1C(O)(CO)C(O)C(O)C1CO
InChI:   InChI=1/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.2188 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.156 g/mol  logS: 1.07472  SlogP: -3.2198  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.228844  Sterimol/B1: 3.15731  Sterimol/B2: 3.18815  Sterimol/B3: 3.339
  Sterimol/B4: 5.28113  Sterimol/L: 9.15721 
 
 Surface and Volume Properties
  Accessible surface: 353.806  Positive charged surface: 259.636  Negative charged surface: 94.1708  Volume: 149.625
  Hydrophobic surface: 115.557  Hydrophilic surface: 238.249
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs02741637
PUBCHEM-ZINC00895040