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IBS-ZINC01803543

 MMsINC code: MMs01775771
Type: Neutral
Formula: C15H28N2+2
SMILES:   [N+](CC#CCCCC#CC[N+](C)(C)C)(C)(C)C
InChI:   InChI=1/C15H28N2/c1-16(2,3)14-12-10-8-7-9-11-13-15-17(4,5)6/h7-9,14-15H2,1-6H3/q+2

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Potential Energy
Epot(MMFF94)=41.1085 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.403 g/mol  logS: -1.888  SlogP: 1.57592  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0379831  Sterimol/B1: 2.3748  Sterimol/B2: 2.79633  Sterimol/B3: 3.81114
  Sterimol/B4: 4.77433  Sterimol/L: 18.77 
 
 Surface and Volume Properties
  Accessible surface: 569.496  Positive charged surface: 528.739  Negative charged surface: 40.7574  Volume: 287.875
  Hydrophobic surface: 411.381  Hydrophilic surface: 158.115
 
 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.