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PUBCHEM-ZINC02029258

MMsINC code: MMs02858467

Type: Neutral
Formula: C11H15O5P
SMILES:   P(OC(=O)c1ccccc1)(OCC)(OCC)=O
InChI:   InChI=1/C11H15O5P/c1-3-14-17(13,15-4-2)16-11(12)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=8.13375 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.21 g/mol  logS: -2.55379  SlogP: 1.9543  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0940451  Sterimol/B1: 2.48058  Sterimol/B2: 3.0952  Sterimol/B3: 4.48742
  Sterimol/B4: 7.54443  Sterimol/L: 14.7009 
 
 Surface and Volume Properties
  Accessible surface: 499.207  Positive charged surface: 300.81  Negative charged surface: 198.398  Volume: 234.25
  Hydrophobic surface: 378.198  Hydrophilic surface: 121.009
 
 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.