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PUBCHEM-ZINC05501148

 MMsINC code: MMs03288665
Type: Neutral
Formula: C10H21NO
SMILES:   O=C(NCC(C)C)C(CC)(C)C
InChI:   InChI=1/C10H21NO/c1-6-10(4,5)9(12)11-7-8(2)3/h8H,6-7H2,1-5H3,(H,11,12)

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Potential Energy
Epot(MMFF94)=23.4239 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.284 g/mol  logS: -1.62175  SlogP: 2.1948  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.099476  Sterimol/B1: 2.94698  Sterimol/B2: 3.26204  Sterimol/B3: 3.61026
  Sterimol/B4: 3.73813  Sterimol/L: 13.3125 
 
 Surface and Volume Properties
  Accessible surface: 408.24  Positive charged surface: 290.123  Negative charged surface: 118.118  Volume: 199.75
  Hydrophobic surface: 289.837  Hydrophilic surface: 118.403
 
 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.