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NCID-ZINC01673414

 MMsINC code: MMs02309303
Type: Neutral
Formula: C15H34N+
SMILES:   [N+](CCCCCCCCCCCC)(C)(C)C
InChI:   InChI=1/C15H34N/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4/h5-15H2,1-4H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.2829 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.444 g/mol  logS: -4.52401  SlogP: 4.6135  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0258313  Sterimol/B1: 2.57302  Sterimol/B2: 3.40358  Sterimol/B3: 3.57385
  Sterimol/B4: 3.57461  Sterimol/L: 20.8937 
 
 Surface and Volume Properties
  Accessible surface: 579.909  Positive charged surface: 522.66  Negative charged surface: 57.2492  Volume: 290.125
  Hydrophobic surface: 499.514  Hydrophilic surface: 80.395
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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: 0
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Ions/Tautomers related molecules: no related molecules available.