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PUBCHEM-ZINC05501128

 MMsINC code: MMs03288655
Type: Neutral
Formula: C10H21NO
SMILES:   O=C(NC(C)(C)C)C(CC)(C)C
InChI:   InChI=1/C10H21NO/c1-7-10(5,6)8(12)11-9(2,3)4/h7H2,1-6H3,(H,11,12)

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Potential Energy
Epot(MMFF94)=38.1411 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.284 g/mol  logS: -1.87263  SlogP: 2.3373  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.181492  Sterimol/B1: 2.8111  Sterimol/B2: 3.624  Sterimol/B3: 3.62469
  Sterimol/B4: 3.82719  Sterimol/L: 11.9016 
 
 Surface and Volume Properties
  Accessible surface: 397.122  Positive charged surface: 276.936  Negative charged surface: 120.186  Volume: 200.875
  Hydrophobic surface: 277.944  Hydrophilic surface: 119.178
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.