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PUBCHEM-ZINC03638535

 MMsINC code: MMs03030475
Type: Neutral
Formula: C5H13O2P
SMILES:   P(OC)(=O)(CC)CC
InChI:   InChI=1/C5H13O2P/c1-4-8(6,5-2)7-3/h4-5H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.68848 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 136.131 g/mol  logS: -0.01124  SlogP: 0.8805  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135018  Sterimol/B1: 2.88541  Sterimol/B2: 3.15853  Sterimol/B3: 3.22032
  Sterimol/B4: 5.43632  Sterimol/L: 10.0178 
 
 Surface and Volume Properties
  Accessible surface: 325.758  Positive charged surface: 240.875  Negative charged surface: 84.8828  Volume: 140.125
  Hydrophobic surface: 252.448  Hydrophilic surface: 73.31
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.