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NCID-ZINC01698754

 MMsINC code: MMs02329048
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)=79.9089 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: 0.415181  Sterimol/B1: 2.50552  Sterimol/B2: 3.41364  Sterimol/B3: 3.84285
  Sterimol/B4: 5.6183  Sterimol/L: 9.36235 
 
 Surface and Volume Properties
  Accessible surface: 355.715  Positive charged surface: 283.464  Negative charged surface: 72.2502  Volume: 184.125
  Hydrophobic surface: 264.912  Hydrophilic surface: 90.803
 
 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.