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PUBCHEM-ZINC05688407

 MMsINC code: MMs03348897
Type: Neutral
Formula: C11H24N+
SMILES:   [N+]1(CC)(CC)C(CCCC1C)C
InChI:   InChI=1/C11H24N/c1-5-12(6-2)10(3)8-7-9-11(12)4/h10-11H,5-9H2,1-4H3/q+1/t10-,11-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=132.959 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.32 g/mol  logS: -1.42104  SlogP: 2.8039  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.815041  Sterimol/B1: 2.19476  Sterimol/B2: 3.20536  Sterimol/B3: 5.1602
  Sterimol/B4: 6.38218  Sterimol/L: 9.49712 
 
 Surface and Volume Properties
  Accessible surface: 365.28  Positive charged surface: 271.727  Negative charged surface: 93.5532  Volume: 199
  Hydrophobic surface: 284.822  Hydrophilic surface: 80.458
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  Chiral centers: 2
 
 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.