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PUBCHEM-ZINC04831509

 MMsINC code: MMs03177233
Type: Neutral
Formula: C11H16O8
SMILES:   O1CC(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1O
InChI:   InChI=1/C11H16O8/c1-5(12)17-8-4-16-11(15)10(19-7(3)14)9(8)18-6(2)13/h8-11,15H,4H2,1-3H3/t8-,9-,10-,11-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=42.3994 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.241 g/mol  logS: -0.8068  SlogP: -0.8699  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158378  Sterimol/B1: 2.34696  Sterimol/B2: 3.60452  Sterimol/B3: 4.42163
  Sterimol/B4: 5.96747  Sterimol/L: 14.124 
 
 Surface and Volume Properties
  Accessible surface: 492.309  Positive charged surface: 324.517  Negative charged surface: 167.792  Volume: 239.125
  Hydrophobic surface: 344.165  Hydrophilic surface: 148.144
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: no related molecules available.