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NCID-ZINC01594951

 MMsINC code: MMs02249306
Type: Neutral
Formula: C15H34N2+2
SMILES:   [N+](CC[N+]1(CCCCCCC1)C)(CC)(CC)C
InChI:   InChI=1/C15H34N2/c1-5-16(3,6-2)14-15-17(4)12-10-8-7-9-11-13-17/h5-15H2,1-4H3/q+2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=183.646 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.451 g/mol  logS: -1.25112  SlogP: 2.8835  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.175925  Sterimol/B1: 2.82335  Sterimol/B2: 3.88599  Sterimol/B3: 4.91176
  Sterimol/B4: 5.22205  Sterimol/L: 13.4736 
 
 Surface and Volume Properties
  Accessible surface: 477.817  Positive charged surface: 398.596  Negative charged surface: 79.2218  Volume: 283.75
  Hydrophobic surface: 388.787  Hydrophilic surface: 89.03
 
 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.