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PUBCHEM-ZINC05963257

 MMsINC code: MMs03463622
Type: Neutral
Formula: C7H19NO3P+
SMILES:   P(O)(O)(=O)C([N+](C)(C)C)C(C)C
InChI:   InChI=1/C7H18NO3P/c1-6(2)7(8(3,4)5)12(9,10)11/h6-7H,1-5H3,(H-,9,10,11)/p+1/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=95.0913 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.207 g/mol  logS: 0.69999  SlogP: -0.2178  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.344293  Sterimol/B1: 3.04401  Sterimol/B2: 3.53193  Sterimol/B3: 3.67626
  Sterimol/B4: 5.44372  Sterimol/L: 8.86454 
 
 Surface and Volume Properties
  Accessible surface: 357.12  Positive charged surface: 270.548  Negative charged surface: 86.5725  Volume: 185.125
  Hydrophobic surface: 174.844  Hydrophilic surface: 182.276
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 1
  Chiral centers: 1
 
 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.