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PUBCHEM-ZINC00347989

 MMsINC code: MMs02660768
Type: Neutral
Formula: C11H12O8
SMILES:   o1c(C(OC)=O)c(C(OC)=O)c(C(OC)=O)c1OC
InChI:   InChI=1/C11H12O8/c1-15-8(12)5-6(9(13)16-2)11(18-4)19-7(5)10(14)17-3/h1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.272 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.209 g/mol  logS: -2.64328  SlogP: 0.648  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.052142  Sterimol/B1: 2.36484  Sterimol/B2: 2.65487  Sterimol/B3: 3.51302
  Sterimol/B4: 10.2595  Sterimol/L: 13.8031 
 
 Surface and Volume Properties
  Accessible surface: 510.846  Positive charged surface: 399.949  Negative charged surface: 110.896  Volume: 232.125
  Hydrophobic surface: 378.768  Hydrophilic surface: 132.078
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.