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PUBCHEM-ZINC06693271

MMsINC code: MMs03841004

Type: Neutral
Formula: C11H24NO3+
SMILES:   O(C(=O)CC(O)C[N+](C)(C)C)CC(C)C
InChI:   InChI=1/C11H24NO3/c1-9(2)8-15-11(14)6-10(13)7-12(3,4)5/h9-10,13H,6-8H2,1-5H3/q+1/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=60.9697 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.317 g/mol  logS: -0.17635  SlogP: 0.6428  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0581744  Sterimol/B1: 2.60853  Sterimol/B2: 3.35217  Sterimol/B3: 3.43213
  Sterimol/B4: 4.32986  Sterimol/L: 15.6988 
 
 Surface and Volume Properties
  Accessible surface: 482.3  Positive charged surface: 404.884  Negative charged surface: 77.416  Volume: 236.625
  Hydrophobic surface: 331.351  Hydrophilic surface: 150.949
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.