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PUBCHEM-ZINC05825868

 MMsINC code: MMs03402825
Type: Neutral
Formula: C15H26N+
SMILES:   [N+](C\C=C/C=1C2CC(CC=1)C2(C)C)(C)(C)C
InChI:   InChI=1/C15H26N/c1-15(2)13-9-8-12(14(15)11-13)7-6-10-16(3,4)5/h6-8,13-14H,9-11H2,1-5H3/q+1/b7-6-/t13-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=98.5614 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.38 g/mol  logS: -3.39292  SlogP: 3.2412  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.206539  Sterimol/B1: 2.39771  Sterimol/B2: 3.49631  Sterimol/B3: 4.00402
  Sterimol/B4: 5.32804  Sterimol/L: 11.9293 
 
 Surface and Volume Properties
  Accessible surface: 443.253  Positive charged surface: 309.527  Negative charged surface: 57.6325  Volume: 255.875
  Hydrophobic surface: 354.278  Hydrophilic surface: 88.975
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  Chiral centers: 2
 
 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.