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PUBCHEM-ZINC05511810

 MMsINC code: MMs03292420
Type: Neutral
Formula: C6H13O5P
SMILES:   P(OC)(OC)(=O)CC(=O)CCO
InChI:   InChI=1/C6H13O5P/c1-10-12(9,11-2)5-6(8)3-4-7/h7H,3-5H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.02134 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.139 g/mol  logS: 0.37789  SlogP: -0.6464  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0548161  Sterimol/B1: 2.36711  Sterimol/B2: 2.66544  Sterimol/B3: 3.73143
  Sterimol/B4: 5.50515  Sterimol/L: 13.1129 
 
 Surface and Volume Properties
  Accessible surface: 394.338  Positive charged surface: 308.54  Negative charged surface: 85.7972  Volume: 171.625
  Hydrophobic surface: 276.941  Hydrophilic surface: 117.397
 
 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.