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NCID-ZINC01713292

 MMsINC code: MMs02339840
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-/m0/s1

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Potential Energy
Epot(MMFF94)=8.64172 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: 0.512299  Sterimol/B1: 3.0225  Sterimol/B2: 3.5109  Sterimol/B3: 3.84649
  Sterimol/B4: 4.40198  Sterimol/L: 8.49747 
 
 Surface and Volume Properties
  Accessible surface: 342.457  Positive charged surface: 241.022  Negative charged surface: 101.435  Volume: 143.125
  Hydrophobic surface: 93.3055  Hydrophilic surface: 249.1515
 
 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


MMs02339841
NCID-ZINC01713292