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IFLAB-ZINC01704446

 MMsINC code: MMs01985268
Type: Neutral
Formula: C14H34N2+2
SMILES:   [N+](CCCC)(CC[N+](CCCC)(C)C)(C)C
InChI:   InChI=1/C14H34N2/c1-7-9-11-15(3,4)13-14-16(5,6)12-10-8-2/h7-14H2,1-6H3/q+2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=119.61 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.44 g/mol  logS: -1.21396  SlogP: 2.7394  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0623122  Sterimol/B1: 3.29845  Sterimol/B2: 3.30844  Sterimol/B3: 3.5739
  Sterimol/B4: 3.57543  Sterimol/L: 18.2338 
 
 Surface and Volume Properties
  Accessible surface: 526.063  Positive charged surface: 465.318  Negative charged surface: 60.745  Volume: 281.625
  Hydrophobic surface: 407.328  Hydrophilic surface: 118.735
 
 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.