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ASINEX-ZINC03160991

 MMsINC code: MMs00287442
Type: Neutral
Formula: C14H34N2+2
SMILES:   [N+](CCCCC[N+](C)(C)C)(CC)(CC)CC
InChI:   InChI=1/C14H34N2/c1-7-16(8-2,9-3)14-12-10-11-13-15(4,5)6/h7-14H2,1-6H3/q+2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.303 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.44 g/mol  logS: -0.7125  SlogP: 2.7394  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0744306  Sterimol/B1: 2.37483  Sterimol/B2: 2.93407  Sterimol/B3: 2.99792
  Sterimol/B4: 7.27275  Sterimol/L: 15.7948 
 
 Surface and Volume Properties
  Accessible surface: 511.604  Positive charged surface: 444.436  Negative charged surface: 67.168  Volume: 283.125
  Hydrophobic surface: 373.876  Hydrophilic surface: 137.728
 
 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.