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NCID-ZINC01762539

 MMsINC code: MMs02368116
Type: Neutral
Formula: C14H34N2+2
SMILES:   [N+](CC[N+](CC)(CC)CC)(CC)(CC)CC
InChI:   InChI=1/C14H34N2/c1-7-15(8-2,9-3)13-14-16(10-4,11-5)12-6/h7-14H2,1-6H3/q+2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=170.096 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.44 g/mol  logS: -1.08882  SlogP: 2.7394  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140603  Sterimol/B1: 2.37537  Sterimol/B2: 3.11987  Sterimol/B3: 3.2748
  Sterimol/B4: 7.27259  Sterimol/L: 13.1058 
 
 Surface and Volume Properties
  Accessible surface: 454.097  Positive charged surface: 349.31  Negative charged surface: 104.787  Volume: 280.375
  Hydrophobic surface: 313.995  Hydrophilic surface: 140.102
 
 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.