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PUBCHEM-ZINC05467613

 MMsINC code: MMs03278204
Type: Neutral
Formula: C8H18NO2+
SMILES:   O(C(=O)C([N+](C)(C)C)CC)C
InChI:   InChI=1/C8H18NO2/c1-6-7(8(10)11-5)9(2,3)4/h7H,6H2,1-5H3/q+1/t7-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.6642 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.237 g/mol  logS: -0.2952  SlogP: 0.6442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.217729  Sterimol/B1: 2.54305  Sterimol/B2: 3.18112  Sterimol/B3: 3.69389
  Sterimol/B4: 6.26849  Sterimol/L: 10.1897 
 
 Surface and Volume Properties
  Accessible surface: 362.435  Positive charged surface: 314.923  Negative charged surface: 47.5116  Volume: 172.625
  Hydrophobic surface: 274.769  Hydrophilic surface: 87.666
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.