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NCID-ZINC01555916

 MMsINC code: MMs02219526
Type: Neutral
Formula: C11H24N+
SMILES:   [N+](C)(C)(C)C1CC(CCC1C)C
InChI:   InChI=1/C11H24N/c1-9-6-7-10(2)11(8-9)12(3,4)5/h9-11H,6-8H2,1-5H3/q+1/t9-,10+,11+/m0/s1

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Potential Energy
Epot(MMFF94)=95.3041 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.32 g/mol  logS: -1.54618  SlogP: 2.5173  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.305072  Sterimol/B1: 2.36819  Sterimol/B2: 2.82741  Sterimol/B3: 4.68866
  Sterimol/B4: 5.74515  Sterimol/L: 9.93144 
 
 Surface and Volume Properties
  Accessible surface: 370.119  Positive charged surface: 316.91  Negative charged surface: 53.2096  Volume: 203.125
  Hydrophobic surface: 289.129  Hydrophilic surface: 80.99
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  Chiral centers: 3
 
 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.