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PUBCHEM-ZINC05591474

 MMsINC code: MMs03316027
Type: Neutral
Formula: C11H21NO2
SMILES:   O1CCCC1CNC(=O)C(CCC)C
InChI:   InChI=1/C11H21NO2/c1-3-5-9(2)11(13)12-8-10-6-4-7-14-10/h9-10H,3-8H2,1-2H3,(H,12,13)/t9-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=24.355 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.294 g/mol  logS: -1.89947  SlogP: 1.7178  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0554104  Sterimol/B1: 2.94219  Sterimol/B2: 3.09367  Sterimol/B3: 3.90748
  Sterimol/B4: 4.00325  Sterimol/L: 15.6226 
 
 Surface and Volume Properties
  Accessible surface: 462.214  Positive charged surface: 361.139  Negative charged surface: 101.075  Volume: 219.375
  Hydrophobic surface: 370.521  Hydrophilic surface: 91.693
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.