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NCID-ZINC01568265

 MMsINC code: MMs02229187
Type: Neutral
Formula: C26H52N+
SMILES:   [N+](C\C=C\CC(CC(C)(C)C)(C)C)(C\C=C\CC(CC(C)(C)C)(C)C)(C)C
InChI:   InChI=1/C26H52N/c1-23(2,3)21-25(7,8)17-13-15-19-27(11,12)20-16-14-18-26(9,10)22-24(4,5)6/h13-16H,17-22H2,1-12H3/q+1/b15-13+,16-14+

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Potential Energy
Epot(MMFF94)=349.731 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.709 g/mol  logS: -9.25483  SlogP: 7.8802  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0422105  Sterimol/B1: 3.39577  Sterimol/B2: 3.7925  Sterimol/B3: 4.17323
  Sterimol/B4: 4.95965  Sterimol/L: 21.2877 
 
 Surface and Volume Properties
  Accessible surface: 714.954  Positive charged surface: 529.712  Negative charged surface: 185.242  Volume: 455.75
  Hydrophobic surface: 512.96  Hydrophilic surface: 201.994
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.