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PUBCHEM-ZINC06360441

 MMsINC code: MMs03686147
Type: Neutral
Formula: C5H16N2O2P+
SMILES:   [PH](O)(=O)C(N)CCCC[NH3+]
InChI:   InChI=1/C5H15N2O2P/c6-4-2-1-3-5(7)10(8)9/h5,10H,1-4,6-7H2,(H,8,9)/p+1/t5-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.2016 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 167.169 g/mol  logS: 0.53266  SlogP: -1.9198  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0686881  Sterimol/B1: 2.6171  Sterimol/B2: 3.04084  Sterimol/B3: 3.18787
  Sterimol/B4: 4.39461  Sterimol/L: 13.2181 
 
 Surface and Volume Properties
  Accessible surface: 383.612  Positive charged surface: 281.925  Negative charged surface: 101.687  Volume: 162.875
  Hydrophobic surface: 159.281  Hydrophilic surface: 224.331
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 1
  Chiral centers: 2
 
 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.