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PUBCHEM-ZINC01999036

 MMsINC code: MMs02841525
Type: Neutral
Formula: C14H34N2O+2
SMILES:   O(CC[N+](CC)(CC)CC)CC[N+](CC)(C)C
InChI:   InChI=1/C14H34N2O/c1-7-15(5,6)11-13-17-14-12-16(8-2,9-3)10-4/h7-14H2,1-6H3/q+2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=154.352 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.439 g/mol  logS: -0.57704  SlogP: 1.9758  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100216  Sterimol/B1: 2.71269  Sterimol/B2: 3.10739  Sterimol/B3: 3.59341
  Sterimol/B4: 5.33431  Sterimol/L: 13.7309 
 
 Surface and Volume Properties
  Accessible surface: 483  Positive charged surface: 409.419  Negative charged surface: 73.581  Volume: 288
  Hydrophobic surface: 355.321  Hydrophilic surface: 127.679
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.