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PUBCHEM-ZINC02042745

 MMsINC code: MMs02863769
Type: Neutral
Formula: C11H21NO2
SMILES:   OC(=O)C(NC)CCC1CCCCC1
InChI:   InChI=1/C11H21NO2/c1-12-10(11(13)14)8-7-9-5-3-2-4-6-9/h9-10,12H,2-8H2,1H3,(H,13,14)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=32.1541 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.294 g/mol  logS: -2.87158  SlogP: 2.0195  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0644657  Sterimol/B1: 2.38393  Sterimol/B2: 2.71555  Sterimol/B3: 3.19771
  Sterimol/B4: 6.26763  Sterimol/L: 12.9864 
 
 Surface and Volume Properties
  Accessible surface: 434.618  Positive charged surface: 343.924  Negative charged surface: 90.6944  Volume: 214.125
  Hydrophobic surface: 331.545  Hydrophilic surface: 103.073
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: no related molecules available.