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PUBCHEM-ZINC02168391

 MMsINC code: MMs02879505
Type: Neutral
Formula: C6H13O5P
SMILES:   P(OCC)(OCC)(=O)C(OC)=O
InChI:   InChI=1/C6H13O5P/c1-4-10-12(8,11-5-2)6(7)9-3/h4-5H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.4878 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.139 g/mol  logS: -0.72993  SlogP: 0.9487  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0890635  Sterimol/B1: 2.07798  Sterimol/B2: 2.56368  Sterimol/B3: 4.23129
  Sterimol/B4: 8.1389  Sterimol/L: 11.9815 
 
 Surface and Volume Properties
  Accessible surface: 414.12  Positive charged surface: 291.501  Negative charged surface: 122.619  Volume: 174.125
  Hydrophobic surface: 275.226  Hydrophilic surface: 138.894
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.