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ASINEX-ZINC05003723

 MMsINC code: MMs00433218
Type: Neutral
Formula: C14H34N2+2
SMILES:   [N+](CCCCCCCCC[NH+](C)C)(C)(C)C
InChI:   InChI=1/C14H33N2/c1-15(2)13-11-9-7-6-8-10-12-14-16(3,4)5/h6-14H2,1-5H3/q+1/p+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.8498 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.44 g/mol  logS: -1.58429  SlogP: 1.5678  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0298818  Sterimol/B1: 2.18233  Sterimol/B2: 2.85173  Sterimol/B3: 3.89807
  Sterimol/B4: 4.72019  Sterimol/L: 19.7581 
 
 Surface and Volume Properties
  Accessible surface: 583.781  Positive charged surface: 560.378  Negative charged surface: 23.4027  Volume: 295.25
  Hydrophobic surface: 471.187  Hydrophilic surface: 112.594
 
 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


MMs00433219
ASINEX-ZINC05003723