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PUBCHEM-ZINC02771466

 MMsINC code: MMs02921555
Type: Neutral
Formula: C11H21NO2
SMILES:   O1C(CN(CC1C)C(=O)C(C)(C)C)C
InChI:   InChI=1/C11H21NO2/c1-8-6-12(7-9(2)14-8)10(13)11(3,4)5/h8-9H,6-7H2,1-5H3/t8-,9-/m0/s1

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Potential Energy
Epot(MMFF94)=89.4411 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.294 g/mol  logS: -1.21569  SlogP: 1.6683  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.243795  Sterimol/B1: 2.54452  Sterimol/B2: 2.59129  Sterimol/B3: 4.83034
  Sterimol/B4: 6.26048  Sterimol/L: 10.419 
 
 Surface and Volume Properties
  Accessible surface: 409.424  Positive charged surface: 290.021  Negative charged surface: 119.403  Volume: 211.875
  Hydrophobic surface: 282.334  Hydrophilic surface: 127.09
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.