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NCID-ZINC01708351

 MMsINC code: MMs02336195
Type: Neutral
Formula: C11H21NO2
SMILES:   OC(=O)C(N)(CC(C)C)C1CCCC1
InChI:   InChI=1/C11H21NO2/c1-8(2)7-11(12,10(13)14)9-5-3-4-6-9/h8-9H,3-7,12H2,1-2H3,(H,13,14)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=65.5772 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.294 g/mol  logS: -2.49631  SlogP: 2.0048  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.216513  Sterimol/B1: 2.72823  Sterimol/B2: 3.20244  Sterimol/B3: 4.62496
  Sterimol/B4: 4.65749  Sterimol/L: 12.0118 
 
 Surface and Volume Properties
  Accessible surface: 405.758  Positive charged surface: 298.976  Negative charged surface: 106.783  Volume: 209.5
  Hydrophobic surface: 274.573  Hydrophilic surface: 131.185
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.