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PUBCHEM-ZINC03650248

 MMsINC code: MMs03033771
Type: Neutral
Formula: C6H12O6
SMILES:   OC(C(O)C(O)CO)(CO)C=O
InChI:   InChI=1/C6H12O6/c7-1-4(10)5(11)6(12,2-8)3-9/h2,4-5,7,9-12H,1,3H2/t4-,5+,6-/m1/s1

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Potential Energy
Epot(MMFF94)=66.2523 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.156 g/mol  logS: 1.38961  SlogP: -3.3772  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.211502  Sterimol/B1: 2.65255  Sterimol/B2: 3.45129  Sterimol/B3: 3.79286
  Sterimol/B4: 3.8892  Sterimol/L: 10.401 
 
 Surface and Volume Properties
  Accessible surface: 340.509  Positive charged surface: 239.839  Negative charged surface: 100.669  Volume: 151.5
  Hydrophobic surface: 107.453  Hydrophilic surface: 233.056
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs03033772
PUBCHEM-ZINC03650248