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PUBCHEM-ZINC02040359

 MMsINC code: MMs02862699
Type: Neutral
Formula: C11H23N2O+
SMILES:   O=C1N(CCC1)CCCC[N+](C)(C)C
InChI:   InChI=1/C11H23N2O/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14/h4-10H2,1-3H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.9307 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.318 g/mol  logS: -0.0607  SlogP: 1.0952  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.08681  Sterimol/B1: 2.42092  Sterimol/B2: 2.44695  Sterimol/B3: 4.28519
  Sterimol/B4: 5.20966  Sterimol/L: 13.9591 
 
 Surface and Volume Properties
  Accessible surface: 453.674  Positive charged surface: 397.246  Negative charged surface: 56.428  Volume: 223.625
  Hydrophobic surface: 356.577  Hydrophilic surface: 97.097
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  Chiral centers: 0
 
 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.