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IBS-ZINC01883677

 MMsINC code: MMs01779717
Type: Neutral
Formula: C16H30N2+2
SMILES:   [N+](CC#CCCCCC#CC[N+](C)(C)C)(C)(C)C
InChI:   InChI=1/C16H30N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-10,15-16H2,1-6H3/q+2

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Potential Energy
Epot(MMFF94)=41.8726 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.43 g/mol  logS: -2.40322  SlogP: 1.96602  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0311061  Sterimol/B1: 2.37504  Sterimol/B2: 2.39263  Sterimol/B3: 3.97338
  Sterimol/B4: 4.77409  Sterimol/L: 20.2182 
 
 Surface and Volume Properties
  Accessible surface: 601.946  Positive charged surface: 556.725  Negative charged surface: 45.2214  Volume: 304.25
  Hydrophobic surface: 441.517  Hydrophilic surface: 160.429
 
 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.