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NCID-ZINC01730254

 MMsINC code: MMs02353226
Type: Neutral
Formula: C13H32N2+2
SMILES:   [N+](CCCCCCC[N+](C)(C)C)(C)(C)C
InChI:   InChI=1/C13H32N2/c1-14(2,3)12-10-8-7-9-11-13-15(4,5)6/h7-13H2,1-6H3/q+2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.569 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.413 g/mol  logS: -0.44786  SlogP: 2.3493  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.054205  Sterimol/B1: 2.11468  Sterimol/B2: 2.37478  Sterimol/B3: 3.81113
  Sterimol/B4: 4.77435  Sterimol/L: 17.0421 
 
 Surface and Volume Properties
  Accessible surface: 520.954  Positive charged surface: 505.482  Negative charged surface: 15.4714  Volume: 267
  Hydrophobic surface: 408.941  Hydrophilic surface: 112.013
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  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.