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NCID-ZINC01730252

 MMsINC code: MMs02353224
Type: Neutral
Formula: C9H24N2+2
SMILES:   [N+](CCC[N+](C)(C)C)(C)(C)C
InChI:   InChI=1/C9H24N2/c1-10(2,3)8-7-9-11(4,5)6/h7-9H2,1-6H3/q+2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.4232 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.305 g/mol  logS: 0.67267  SlogP: 0.7889  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.170695  Sterimol/B1: 2.12714  Sterimol/B2: 2.37201  Sterimol/B3: 3.80952
  Sterimol/B4: 4.77757  Sterimol/L: 12.0462 
 
 Surface and Volume Properties
  Accessible surface: 396.346  Positive charged surface: 396.346  Negative charged surface: 0  Volume: 196.375
  Hydrophobic surface: 284.609  Hydrophilic surface: 111.737
 
 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.