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NCID-ZINC01713291

 MMsINC code: MMs02339838
Type: Neutral
Formula: C6H10O6
SMILES:   OC(=O)C(C(C(O)=O)CO)CO
InChI:   InChI=1/C6H10O6/c7-1-3(5(9)10)4(2-8)6(11)12/h3-4,7-8H,1-2H2,(H,9,10)(H,11,12)/t3-,4-/m1/s1

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Potential Energy
Epot(MMFF94)=9.09069 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.14 g/mol  logS: 1.3099  SlogP: -1.6274  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106992  Sterimol/B1: 2.37253  Sterimol/B2: 2.68369  Sterimol/B3: 3.04563
  Sterimol/B4: 5.02179  Sterimol/L: 9.13703 
 
 Surface and Volume Properties
  Accessible surface: 343.662  Positive charged surface: 241.759  Negative charged surface: 101.903  Volume: 146.75
  Hydrophobic surface: 93.2395  Hydrophilic surface: 250.4225
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02339839
NCID-ZINC01713291