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PUBCHEM-ZINC05651733

 MMsINC code: MMs03337934
Type: Neutral
Formula: C15H36N2O+2
SMILES:   O(CC[N+](CC)(CC)CC)CC[N+](CC)(CC)C
InChI:   InChI=1/C15H36N2O/c1-7-16(6,8-2)12-14-18-15-13-17(9-3,10-4)11-5/h7-15H2,1-6H3/q+2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=151.359 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.466 g/mol  logS: -0.90425  SlogP: 2.3659  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0571592  Sterimol/B1: 3.09523  Sterimol/B2: 3.30994  Sterimol/B3: 4.50905
  Sterimol/B4: 5.11833  Sterimol/L: 16.8754 
 
 Surface and Volume Properties
  Accessible surface: 544.549  Positive charged surface: 439.645  Negative charged surface: 104.904  Volume: 306
  Hydrophobic surface: 388.886  Hydrophilic surface: 155.663
 
 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.