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PUBCHEM-ZINC05762120

 MMsINC code: MMs03375452
Type: Neutral
Formula: C10H19NO2
SMILES:   OC(=O)C1CC(NC(C1)(C)C)(C)C
InChI:   InChI=1/C10H19NO2/c1-9(2)5-7(8(12)13)6-10(3,4)11-9/h7,11H,5-6H2,1-4H3,(H,12,13)

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Potential Energy
Epot(MMFF94)=17.692 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.267 g/mol  logS: -0.97102  SlogP: 1.6278  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.403209  Sterimol/B1: 2.11914  Sterimol/B2: 4.29614  Sterimol/B3: 4.94207
  Sterimol/B4: 5.37695  Sterimol/L: 10.1744 
 
 Surface and Volume Properties
  Accessible surface: 387.233  Positive charged surface: 268.683  Negative charged surface: 118.55  Volume: 196.875
  Hydrophobic surface: 220.319  Hydrophilic surface: 166.914
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.