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PUBCHEM-ZINC05843931

 MMsINC code: MMs03412366
Type: Neutral
Formula: C11H22N4-4
SMILES:   [N-]1CCCC[N-]CC[N-]CCC[N-]CC1
InChI:   InChI=1/C11H22N4/c1-2-5-13-9-11-15-7-3-6-14-10-8-12-4-1/h1-11H2/q-4

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=155.988 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.325 g/mol  logS: 0.48999  SlogP: 2.6651  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117503  Sterimol/B1: 2.87957  Sterimol/B2: 3.2308  Sterimol/B3: 5.30985
  Sterimol/B4: 5.94241  Sterimol/L: 11.2083 
 
 Surface and Volume Properties
  Accessible surface: 438.389  Positive charged surface: 316.713  Negative charged surface: 121.676  Volume: 232.875
  Hydrophobic surface: 393.064  Hydrophilic surface: 45.325
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  Basic groups: 0
  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.