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PUBCHEM-ZINC05593273

 MMsINC code: MMs03317229
Type: Neutral
Formula: C10H21NO
SMILES:   O=C(NC(CC)C)CC(C)(C)C
InChI:   InChI=1/C10H21NO/c1-6-8(2)11-9(12)7-10(3,4)5/h8H,6-7H2,1-5H3,(H,11,12)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=30.0007 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.284 g/mol  logS: -2.37409  SlogP: 2.3373  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119446  Sterimol/B1: 2.03012  Sterimol/B2: 3.18812  Sterimol/B3: 3.44098
  Sterimol/B4: 5.76426  Sterimol/L: 12.0763 
 
 Surface and Volume Properties
  Accessible surface: 414.824  Positive charged surface: 302.608  Negative charged surface: 112.217  Volume: 200.625
  Hydrophobic surface: 298.095  Hydrophilic surface: 116.729
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.