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NCID-ZINC04769231

 MMsINC code: MMs02401970
Type: Neutral
Formula: C18H34N+
SMILES:   [N+](CC1(CC(=CC(C)=C1CCCCC)C)C)(C)(C)C
InChI:   InChI=1/C18H34N/c1-8-9-10-11-17-16(3)12-15(2)13-18(17,4)14-19(5,6)7/h12H,8-11,13-14H2,1-7H3/q+1/t18-/m1/s1

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Potential Energy
Epot(MMFF94)=195.263 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.477 g/mol  logS: -3.41078  SlogP: 4.9457  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144802  Sterimol/B1: 3.43671  Sterimol/B2: 4.47273  Sterimol/B3: 4.60797
  Sterimol/B4: 6.32071  Sterimol/L: 14.2585 
 
 Surface and Volume Properties
  Accessible surface: 532.853  Positive charged surface: 424.661  Negative charged surface: 108.192  Volume: 314.125
  Hydrophobic surface: 448.347  Hydrophilic surface: 84.506
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  Chiral centers: 1
 
 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.