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PUBCHEM-ZINC04529790

 MMsINC code: MMs03129242
Type: Neutral
Formula: C11H22N+
SMILES:   [N+](C)(C)(C)C1CCCC=CCC1
InChI:   InChI=1/C11H22N/c1-12(2,3)11-9-7-5-4-6-8-10-11/h4-5,11H,6-10H2,1-3H3/q+1/b5-4-/t11-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.9541 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.304 g/mol  logS: -0.69531  SlogP: 2.5815  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.276388  Sterimol/B1: 2.03393  Sterimol/B2: 3.99741  Sterimol/B3: 4.0464
  Sterimol/B4: 4.64387  Sterimol/L: 10.0023 
 
 Surface and Volume Properties
  Accessible surface: 369.078  Positive charged surface: 316.149  Negative charged surface: 52.9282  Volume: 198.125
  Hydrophobic surface: 298.194  Hydrophilic surface: 70.884
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.