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NCID-ZINC01732651

 MMsINC code: MMs02355314
Type: Neutral
Formula: C16H34N2+2
SMILES:   [N+](CC#CC[N+](CC)(CC)CC)(CC)(CC)CC
InChI:   InChI=1/C16H34N2/c1-7-17(8-2,9-3)15-13-14-16-18(10-4,11-5)12-6/h7-12,15-16H2,1-6H3/q+2

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Potential Energy
Epot(MMFF94)=116.396 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.462 g/mol  logS: -2.01706  SlogP: 2.74281  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0778981  Sterimol/B1: 2.89277  Sterimol/B2: 3.35684  Sterimol/B3: 4.8238
  Sterimol/B4: 4.82428  Sterimol/L: 15.534 
 
 Surface and Volume Properties
  Accessible surface: 524.643  Positive charged surface: 410.114  Negative charged surface: 114.529  Volume: 301.375
  Hydrophobic surface: 361.569  Hydrophilic surface: 163.074
 
 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.