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PUBCHEM-ZINC05861734

 MMsINC code: MMs03422180
Type: Neutral
Formula: C5H14NO3P
SMILES:   P(OCC)(O)(=O)NC(C)C
InChI:   InChI=1/C5H14NO3P/c1-4-9-10(7,8)6-5(2)3/h5H,4H2,1-3H3,(H2,6,7,8)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-55.8361 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 167.145 g/mol  logS: 0.05488  SlogP: 0.0511  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15926  Sterimol/B1: 2.20049  Sterimol/B2: 3.17569  Sterimol/B3: 4.29643
  Sterimol/B4: 4.97275  Sterimol/L: 10.6013 
 
 Surface and Volume Properties
  Accessible surface: 357.838  Positive charged surface: 224.674  Negative charged surface: 133.163  Volume: 156
  Hydrophobic surface: 191.54  Hydrophilic surface: 166.298
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.