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PUBCHEM-ZINC04530180

 MMsINC code: MMs03129362
Type: Neutral
Formula: C15H28N+
SMILES:   [N+](CC)(CC)(C)C12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C15H28N/c1-4-16(3,5-2)15-9-12-6-13(10-15)8-14(7-12)11-15/h12-14H,4-11H2,1-3H3/q+1/t12-,13+,14-,15-

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Potential Energy
Epot(MMFF94)=131.567 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.396 g/mol  logS: -2.83895  SlogP: 3.4416  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.266623  Sterimol/B1: 2.36055  Sterimol/B2: 3.73258  Sterimol/B3: 4.15212
  Sterimol/B4: 5.27617  Sterimol/L: 10.7656 
 
 Surface and Volume Properties
  Accessible surface: 410.06  Positive charged surface: 335.916  Negative charged surface: 74.1435  Volume: 246.625
  Hydrophobic surface: 353.124  Hydrophilic surface: 56.936
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.