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NCID-ZINC01683094

 MMsINC code: MMs02316694
Type: Neutral
Formula: C11H28N2+2
SMILES:   [N+](CCCCC[N+](C)(C)C)(C)(C)C
InChI:   InChI=1/C11H28N2/c1-12(2,3)10-8-7-9-11-13(4,5)6/h7-11H2,1-6H3/q+2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.8957 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.359 g/mol  logS: 0.26913  SlogP: 1.5691  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0898043  Sterimol/B1: 2.11432  Sterimol/B2: 2.37577  Sterimol/B3: 3.81436
  Sterimol/B4: 4.77344  Sterimol/L: 14.5444 
 
 Surface and Volume Properties
  Accessible surface: 459.319  Positive charged surface: 451.727  Negative charged surface: 7.59195  Volume: 234.5
  Hydrophobic surface: 347.582  Hydrophilic surface: 111.737
 
 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.