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NCID-ZINC01625676

 MMsINC code: MMs02272325
Type: Neutral
Formula: C10H22NO+
SMILES:   OC1CCCCC1C[N+](C)(C)C
InChI:   InChI=1/C10H22NO/c1-11(2,3)8-9-6-4-5-7-10(9)12/h9-10,12H,4-8H2,1-3H3/q+1/t9-,10+/m0/s1

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Potential Energy
Epot(MMFF94)=69.0187 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.292 g/mol  logS: -0.50121  SlogP: 1.2437  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.175997  Sterimol/B1: 2.47553  Sterimol/B2: 2.81051  Sterimol/B3: 4.05929
  Sterimol/B4: 5.80348  Sterimol/L: 11.168 
 
 Surface and Volume Properties
  Accessible surface: 382.345  Positive charged surface: 343.558  Negative charged surface: 38.7867  Volume: 194.75
  Hydrophobic surface: 290.497  Hydrophilic surface: 91.848
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.