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PUBCHEM-ZINC05462723

 MMsINC code: MMs03276849
Type: Neutral
Formula: C8H17O5P
SMILES:   P(OCC)(OCC)(=O)CC(=O)CCO
InChI:   InChI=1/C8H17O5P/c1-3-12-14(11,13-4-2)7-8(10)5-6-9/h9H,3-7H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.43705 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.193 g/mol  logS: -0.27653  SlogP: 0.1338  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0592675  Sterimol/B1: 2.1546  Sterimol/B2: 2.56077  Sterimol/B3: 4.03505
  Sterimol/B4: 7.85066  Sterimol/L: 14.5375 
 
 Surface and Volume Properties
  Accessible surface: 466.097  Positive charged surface: 339.283  Negative charged surface: 126.814  Volume: 207.125
  Hydrophobic surface: 307.802  Hydrophilic surface: 158.295
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.