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PUBCHEM-ZINC05862962

 MMsINC code: MMs03422652
Type: Neutral
Formula: C5H13O2P
SMILES:   P(OCC)(OCC)C
InChI:   InChI=1/C5H15O2P/c1-4-6-8(3)7-5-2/h4-5,8H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=167.966 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 138.147 g/mol  logS: -1.37718  SlogP: 1.4657  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0997864  Sterimol/B1: 2.47847  Sterimol/B2: 2.60878  Sterimol/B3: 3.63454
  Sterimol/B4: 3.95525  Sterimol/L: 11.5916 
 
 Surface and Volume Properties
  Accessible surface: 349.577  Positive charged surface: 224.214  Negative charged surface: 125.363  Volume: 145.875
  Hydrophobic surface: 260.036  Hydrophilic surface: 89.541
 
 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.