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PUBCHEM-ZINC06360436

 MMsINC code: MMs03686143
Type: Ionized
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-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=5.15704 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: 0.0568915  Sterimol/B1: 2.60795  Sterimol/B2: 2.9572  Sterimol/B3: 3.06559
  Sterimol/B4: 4.27233  Sterimol/L: 13.302 
 
 Surface and Volume Properties
  Accessible surface: 380.895  Positive charged surface: 282.402  Negative charged surface: 98.493  Volume: 160.625
  Hydrophobic surface: 163.036  Hydrophilic surface: 217.859
 
 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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Parent related molecule:


MMs03686142
PUBCHEM-ZINC06360436