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PUBCHEM-ZINC05834914

 MMsINC code: MMs03407492
Type: Neutral
Formula: C5H14NO3P
SMILES:   P(OC)(OC)(=O)NCCC
InChI:   InChI=1/C5H14NO3P/c1-4-5-6-10(7,8-2)9-3/h4-5H2,1-3H3,(H,6,7)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-31.3858 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 167.145 g/mol  logS: 0.16235  SlogP: 0.3167  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123772  Sterimol/B1: 2.49542  Sterimol/B2: 3.09992  Sterimol/B3: 3.44288
  Sterimol/B4: 5.8252  Sterimol/L: 11.0783 
 
 Surface and Volume Properties
  Accessible surface: 365.471  Positive charged surface: 284.937  Negative charged surface: 80.5344  Volume: 160.75
  Hydrophobic surface: 274.837  Hydrophilic surface: 90.634
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.