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NCID-ZINC01698753

 MMsINC code: MMs02329047
Type: Neutral
Formula: C10H20NO+
SMILES:   OC1CC2[N+](C(C1)CC2)(CC)C
InChI:   InChI=1/C10H20NO/c1-3-11(2)8-4-5-9(11)7-10(12)6-8/h8-10,12H,3-7H2,1-2H3/q+1/t8-,9+,10+,11+

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Potential Energy
Epot(MMFF94)=102.532 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.276 g/mol  logS: -0.58748  SlogP: 1.1386  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.398327  Sterimol/B1: 3.04673  Sterimol/B2: 3.26582  Sterimol/B3: 3.81347
  Sterimol/B4: 4.82719  Sterimol/L: 9.56307 
 
 Surface and Volume Properties
  Accessible surface: 347.002  Positive charged surface: 282.84  Negative charged surface: 64.1624  Volume: 182.25
  Hydrophobic surface: 272.859  Hydrophilic surface: 74.143
 
 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.