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PUBCHEM-ZINC06199956

 MMsINC code: MMs03607397
Type: Neutral
Formula: C11H21NO2
SMILES:   O(C(=O)C1CC(NCC1)C)C(C)(C)C
InChI:   InChI=1/C11H21NO2/c1-8-7-9(5-6-12-8)10(13)14-11(2,3)4/h8-9,12H,5-7H2,1-4H3/t8-,9-/m0/s1

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Potential Energy
Epot(MMFF94)=25.1855 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.294 g/mol  logS: -1.38335  SlogP: 1.7162  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100271  Sterimol/B1: 2.44514  Sterimol/B2: 3.31564  Sterimol/B3: 3.3997
  Sterimol/B4: 5.7596  Sterimol/L: 13.2601 
 
 Surface and Volume Properties
  Accessible surface: 432.062  Positive charged surface: 333.229  Negative charged surface: 98.833  Volume: 215.5
  Hydrophobic surface: 324.076  Hydrophilic surface: 107.986
 
 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


MMs03607398
PUBCHEM-ZINC06199956