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NCID-ZINC01664095

 MMsINC code: MMs02300411
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-/m0/s1

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Potential Energy
Epot(MMFF94)=289.539 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: 0.240706  Sterimol/B1: 3.85118  Sterimol/B2: 4.30131  Sterimol/B3: 5.01571
  Sterimol/B4: 5.78683  Sterimol/L: 14.3002 
 
 Surface and Volume Properties
  Accessible surface: 531.378  Positive charged surface: 424.57  Negative charged surface: 106.808  Volume: 308.875
  Hydrophobic surface: 458.548  Hydrophilic surface: 72.83
 
 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.