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PUBCHEM-ZINC06358148

 MMsINC code: MMs03684524
Type: Ionized
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-/m1/s1

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Potential Energy
Epot(MMFF94)=0.605138 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: 0.231071  Sterimol/B1: 2.22462  Sterimol/B2: 2.76696  Sterimol/B3: 4.43122
  Sterimol/B4: 5.03369  Sterimol/L: 10.0479 
 
 Surface and Volume Properties
  Accessible surface: 344.673  Positive charged surface: 239.481  Negative charged surface: 105.191  Volume: 152.25
  Hydrophobic surface: 161.041  Hydrophilic surface: 183.632
 
 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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Parent related molecule:


MMs03684523
PUBCHEM-ZINC06358148