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PUBCHEM-ZINC05648385

 MMsINC code: MMs03334945
Type: Neutral
Formula: C5H13O3P
SMILES:   P(OC)(OC)(=O)CCC
InChI:   InChI=1/C5H13O3P/c1-4-5-9(6,7-2)8-3/h4-5H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.21136 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.13 g/mol  logS: -0.14036  SlogP: 0.8121  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0819047  Sterimol/B1: 2.76814  Sterimol/B2: 3.58441  Sterimol/B3: 3.72665
  Sterimol/B4: 4.27253  Sterimol/L: 10.6568 
 
 Surface and Volume Properties
  Accessible surface: 345.343  Positive charged surface: 273.131  Negative charged surface: 72.2116  Volume: 145.25
  Hydrophobic surface: 282.326  Hydrophilic surface: 63.017
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.