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NCID-ZINC05202738

 MMsINC code: MMs02448260
Type: Neutral
Formula: C11H19NO2
SMILES:   OC(=O)C1(N)C2C(CCC1)CCCC2
InChI:   InChI=1/C11H19NO2/c12-11(10(13)14)7-3-5-8-4-1-2-6-9(8)11/h8-9H,1-7,12H2,(H,13,14)/t8-,9-,11-/m1/s1

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Potential Energy
Epot(MMFF94)=52.8624 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.278 g/mol  logS: -2.39427  SlogP: 1.7588  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.303429  Sterimol/B1: 3.22551  Sterimol/B2: 3.56451  Sterimol/B3: 3.76938
  Sterimol/B4: 4.62267  Sterimol/L: 9.98449 
 
 Surface and Volume Properties
  Accessible surface: 376.221  Positive charged surface: 278.343  Negative charged surface: 97.8779  Volume: 196.625
  Hydrophobic surface: 258.698  Hydrophilic surface: 117.523
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.