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AURORAFEINCHEMIE-ZINC01444999

 MMsINC code: MMs00448452
Type: Neutral
Formula: C6H9O6P
SMILES:   P(OC(=O)C)(OC(=O)C)OC(=O)C
InChI:   InChI=1/C6H9O6P/c1-4(7)10-13(11-5(2)8)12-6(3)9/h1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.3121 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.106 g/mol  logS: -0.83409  SlogP: 0.9026  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0749304  Sterimol/B1: 2.11577  Sterimol/B2: 2.49653  Sterimol/B3: 3.44071
  Sterimol/B4: 7.77582  Sterimol/L: 11.5814 
 
 Surface and Volume Properties
  Accessible surface: 404.2  Positive charged surface: 232.633  Negative charged surface: 171.568  Volume: 167.375
  Hydrophobic surface: 271.511  Hydrophilic surface: 132.689
 
 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.