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NCID-ZINC05182204

 MMsINC code: MMs02446739
Type: Neutral
Formula: C11H22NO2+
SMILES:   OC1C2[N+](CCC2CO)(CC1)CCC
InChI:   InChI=1/C11H22NO2/c1-2-5-12-6-3-9(8-13)11(12)10(14)4-7-12/h9-11,13-14H,2-8H2,1H3/q+1/t9-,10+,11+,12-/m0/s1

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Potential Energy
Epot(MMFF94)=60.8156 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.302 g/mol  logS: -0.2595  SlogP: 0.3586  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.208623  Sterimol/B1: 2.51984  Sterimol/B2: 3.10199  Sterimol/B3: 4.39806
  Sterimol/B4: 5.83105  Sterimol/L: 11.9932 
 
 Surface and Volume Properties
  Accessible surface: 412.033  Positive charged surface: 345.622  Negative charged surface: 66.411  Volume: 212.625
  Hydrophobic surface: 287.077  Hydrophilic surface: 124.956
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  Chiral centers: 4
 
 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.