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NCID-ZINC04973187

 MMsINC code: MMs02422096
Type: Neutral
Formula: C11H23N2O+
SMILES:   O=C1NCC([N+](C)(C)C)CCCCC1
InChI:   InChI=1/C11H22N2O/c1-13(2,3)10-7-5-4-6-8-11(14)12-9-10/h10H,4-9H2,1-3H3/p+1/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=109.078 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.318 g/mol  logS: -0.68191  SlogP: 1.1415  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.221912  Sterimol/B1: 2.82492  Sterimol/B2: 2.87881  Sterimol/B3: 3.9451
  Sterimol/B4: 5.19151  Sterimol/L: 10.8641 
 
 Surface and Volume Properties
  Accessible surface: 388.93  Positive charged surface: 319.914  Negative charged surface: 69.0151  Volume: 215
  Hydrophobic surface: 278.377  Hydrophilic surface: 110.553
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.