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PUBCHEM-ZINC05178394

 MMsINC code: MMs03220828
Type: Neutral
Formula: C5H2O5
SMILES:   O=C(C(=O)C=O)C(=O)C=O
InChI:   InChI=1/C5H2O5/c6-1-3(8)5(10)4(9)2-7/h1-2H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.4398 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.066 g/mol  logS: -0.64969  SlogP: -1.9085  Reactive groups: 1
 
 Topological Properties
  Globularity: 2.64638e-07  Sterimol/B1: 1.992  Sterimol/B2: 1.9934  Sterimol/B3: 2.95448
  Sterimol/B4: 3.69813  Sterimol/L: 10.7415 
 
 Surface and Volume Properties
  Accessible surface: 274.534  Positive charged surface: 126.068  Negative charged surface: 148.465  Volume: 107.5
  Hydrophobic surface: 32.6466  Hydrophilic surface: 241.8874
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.