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NCID-ZINC01730256

 MMsINC code: MMs02353228
Type: Neutral
Formula: C15H36N2+2
SMILES:   [N+](CCCCCCCCC[N+](C)(C)C)(C)(C)C
InChI:   InChI=1/C15H36N2/c1-16(2,3)14-12-10-8-7-9-11-13-15-17(4,5)6/h7-15H2,1-6H3/q+2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.0523 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.467 g/mol  logS: -1.4783  SlogP: 3.1295  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0361176  Sterimol/B1: 2.11427  Sterimol/B2: 2.37485  Sterimol/B3: 3.81131
  Sterimol/B4: 4.77427  Sterimol/L: 19.5412 
 
 Surface and Volume Properties
  Accessible surface: 581.784  Positive charged surface: 558.433  Negative charged surface: 23.3509  Volume: 306.25
  Hydrophobic surface: 469.771  Hydrophilic surface: 112.013
 
 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.