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PUBCHEM-ZINC04095707

 MMsINC code: MMs03089504
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)=55.7199 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: 0.127228  Sterimol/B1: 3.1507  Sterimol/B2: 3.28623  Sterimol/B3: 3.40283
  Sterimol/B4: 3.72161  Sterimol/L: 11.1446 
 
 Surface and Volume Properties
  Accessible surface: 347.459  Positive charged surface: 232.322  Negative charged surface: 115.137  Volume: 152.875
  Hydrophobic surface: 105.129  Hydrophilic surface: 242.33
 
 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


MMs03089505
PUBCHEM-ZINC04095707