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PUBCHEM-ZINC05821188

 MMsINC code: MMs03400220
Type: Neutral
Formula: C11H25NO2
SMILES:   OC(CN(CCCC)CCCC)CO
InChI:   InChI=1/C11H25NO2/c1-3-5-7-12(8-6-4-2)9-11(14)10-13/h11,13-14H,3-10H2,1-2H3/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=36.0818 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.326 g/mol  logS: -1.17175  SlogP: 1.2418  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111977  Sterimol/B1: 2.94875  Sterimol/B2: 3.684  Sterimol/B3: 5.09134
  Sterimol/B4: 7.72641  Sterimol/L: 12.7608 
 
 Surface and Volume Properties
  Accessible surface: 486.422  Positive charged surface: 388.015  Negative charged surface: 98.4068  Volume: 233.5
  Hydrophobic surface: 349.704  Hydrophilic surface: 136.718
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  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


MMs03400221
PUBCHEM-ZINC05821188