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IBS-ZINC01866910

 MMsINC code: MMs01779146
Type: Neutral
Formula: C11H26N2+2
SMILES:   [N+](C\C(=C\C[N+](C)(C)C)\C)(C)(C)C
InChI:   InChI=1/C11H26N2/c1-11(10-13(5,6)7)8-9-12(2,3)4/h8H,9-10H2,1-7H3/q+2/b11-8-

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.7143 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.343 g/mol  logS: 0.35167  SlogP: 1.3451  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.177672  Sterimol/B1: 2.05611  Sterimol/B2: 3.33476  Sterimol/B3: 3.54378
  Sterimol/B4: 6.49751  Sterimol/L: 11.2824 
 
 Surface and Volume Properties
  Accessible surface: 417.724  Positive charged surface: 395.428  Negative charged surface: 22.2963  Volume: 226
  Hydrophobic surface: 318.152  Hydrophilic surface: 99.572
 
 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.