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IBS-ZINC02105828

 MMsINC code: MMs01786252
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-/m1/s1

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Potential Energy
Epot(MMFF94)=77.4412 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: 0.130345  Sterimol/B1: 2.21352  Sterimol/B2: 4.10182  Sterimol/B3: 4.57752
  Sterimol/B4: 5.53983  Sterimol/L: 13.0615 
 
 Surface and Volume Properties
  Accessible surface: 475.53  Positive charged surface: 343.035  Negative charged surface: 66.8926  Volume: 258.25
  Hydrophobic surface: 371.606  Hydrophilic surface: 103.924
 
 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.