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PUBCHEM-ZINC04095705

 MMsINC code: MMs03089500
Type: Neutral
Formula: C6H12O6
SMILES:   OC(C(O)C(O)C)C(O)C(O)=O
InChI:   InChI=1/C6H12O6/c1-2(7)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H3,(H,11,12)/t2-,3-,4-,5-/m0/s1

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Potential Energy
Epot(MMFF94)=59.8345 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.156 g/mol  logS: 0.89657  SlogP: -2.4655  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0989082  Sterimol/B1: 2.86427  Sterimol/B2: 3.12529  Sterimol/B3: 3.47136
  Sterimol/B4: 3.71234  Sterimol/L: 11.0886 
 
 Surface and Volume Properties
  Accessible surface: 345.933  Positive charged surface: 231.975  Negative charged surface: 113.958  Volume: 152.5
  Hydrophobic surface: 103.355  Hydrophilic surface: 242.578
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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


MMs03089501
PUBCHEM-ZINC04095705