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PUBCHEM-ZINC06358056

 MMsINC code: MMs03684414
Type: Neutral
Formula: C5H15NO2P+
SMILES:   [PH](O)(=O)C([NH3+])CC(C)C
InChI:   InChI=1/C5H14NO2P/c1-4(2)3-5(6)9(7)8/h4-5,9H,3,6H2,1-2H3,(H,7,8)/p+1/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=0.605854 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.154 g/mol  logS: -0.73009  SlogP: -1.0027  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.230963  Sterimol/B1: 3.09771  Sterimol/B2: 3.20609  Sterimol/B3: 3.99139
  Sterimol/B4: 4.16126  Sterimol/L: 10.0469 
 
 Surface and Volume Properties
  Accessible surface: 343.204  Positive charged surface: 237.706  Negative charged surface: 105.498  Volume: 152.25
  Hydrophobic surface: 160.785  Hydrophilic surface: 182.419
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.