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PUBCHEM-ZINC06381321

 MMsINC code: MMs03695663
Type: Neutral
Formula: C7H19NO3P+
SMILES:   P(O)(O)(=O)C([N+](C)(C)C)CCC
InChI:   InChI=1/C7H18NO3P/c1-5-6-7(8(2,3)4)12(9,10)11/h7H,5-6H2,1-4H3,(H-,9,10,11)/p+1/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=41.7267 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.207 g/mol  logS: 0.38654  SlogP: -0.0737  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.222444  Sterimol/B1: 3.25173  Sterimol/B2: 3.30099  Sterimol/B3: 3.6005
  Sterimol/B4: 5.58049  Sterimol/L: 10.8798 
 
 Surface and Volume Properties
  Accessible surface: 376.371  Positive charged surface: 300.104  Negative charged surface: 76.2671  Volume: 188.125
  Hydrophobic surface: 204.059  Hydrophilic surface: 172.312
 
 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.