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NCID-ZINC01682453

 MMsINC code: MMs02316197
Type: Neutral
Formula: C6H10O6
SMILES:   O(C(C(O)C(OC)=O)C(O)=O)C
InChI:   InChI=1/C6H10O6/c1-11-4(5(8)9)3(7)6(10)12-2/h3-4,7H,1-2H3,(H,8,9)/t3-,4+/m1/s1

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Potential Energy
Epot(MMFF94)=38.4205 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.14 g/mol  logS: 0.06535  SlogP: -1.3801  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100452  Sterimol/B1: 2.33601  Sterimol/B2: 2.4292  Sterimol/B3: 3.23482
  Sterimol/B4: 6.53571  Sterimol/L: 10.7775 
 
 Surface and Volume Properties
  Accessible surface: 358.902  Positive charged surface: 265.861  Negative charged surface: 93.0416  Volume: 152
  Hydrophobic surface: 191.287  Hydrophilic surface: 167.615
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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


MMs02316198
NCID-ZINC01682453