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NCID-ZINC05700781

 MMsINC code: MMs02486867
Type: Neutral
Formula: C10H20N+
SMILES:   [N+]12(CC(CCC1)C)CCCC2
InChI:   InChI=1/C10H20N/c1-10-5-4-8-11(9-10)6-2-3-7-11/h10H,2-9H2,1H3/q+1/t10-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.6181 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.277 g/mol  logS: -0.86635  SlogP: 2.0269  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.2669  Sterimol/B1: 2.47845  Sterimol/B2: 3.33255  Sterimol/B3: 3.61075
  Sterimol/B4: 5.95429  Sterimol/L: 10.3017 
 
 Surface and Volume Properties
  Accessible surface: 356.924  Positive charged surface: 301.284  Negative charged surface: 55.6406  Volume: 179.625
  Hydrophobic surface: 316.712  Hydrophilic surface: 40.212
 
 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.