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APOLLO-ZINC03128910

 MMsINC code: MMs00055910
Type: Neutral
Formula: C11H20NO2+
SMILES:   O(C(=O)C1[N+]2(CCC(C1)CC2)C)CC
InChI:   InChI=1/C11H20NO2/c1-3-14-11(13)10-8-9-4-6-12(10,2)7-5-9/h9-10H,3-8H2,1-2H3/q+1/t9-,10-,12+/m0/s1

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Potential Energy
Epot(MMFF94)=77.5078 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.286 g/mol  logS: -1.07275  SlogP: 1.1784  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.175616  Sterimol/B1: 3.05066  Sterimol/B2: 3.70825  Sterimol/B3: 3.89695
  Sterimol/B4: 4.79651  Sterimol/L: 12.4083 
 
 Surface and Volume Properties
  Accessible surface: 410.934  Positive charged surface: 345.081  Negative charged surface: 65.8533  Volume: 205
  Hydrophobic surface: 340.946  Hydrophilic surface: 69.988
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.