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PUBCHEM-ZINC02146733

 MMsINC code: MMs02876714
Type: Neutral
Formula: C7H15O4P
SMILES:   P(OCC)(OCC)(=O)C(=O)CC
InChI:   InChI=1/C7H15O4P/c1-4-7(8)12(9,10-5-2)11-6-3/h4-6H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.9636 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.167 g/mol  logS: -0.86224  SlogP: 1.1189  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0893459  Sterimol/B1: 2.70813  Sterimol/B2: 4.07469  Sterimol/B3: 4.27458
  Sterimol/B4: 5.89946  Sterimol/L: 12.2338 
 
 Surface and Volume Properties
  Accessible surface: 418.9  Positive charged surface: 285.879  Negative charged surface: 133.021  Volume: 182.5
  Hydrophobic surface: 279.141  Hydrophilic surface: 139.759
 
 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.