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NCID-ZINC01693457

 MMsINC code: MMs02324940
Type: Neutral
Formula: C11H23NO2
SMILES:   OC(CNC(=O)C(CCCC)CC)C
InChI:   InChI=1/C11H23NO2/c1-4-6-7-10(5-2)11(14)12-8-9(3)13/h9-10,13H,4-8H2,1-3H3,(H,12,14)/t9-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=21.054 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.31 g/mol  logS: -2.35956  SlogP: 1.6998  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0642907  Sterimol/B1: 2.75872  Sterimol/B2: 2.82576  Sterimol/B3: 3.53303
  Sterimol/B4: 5.84698  Sterimol/L: 15.7375 
 
 Surface and Volume Properties
  Accessible surface: 473.153  Positive charged surface: 348.981  Negative charged surface: 124.172  Volume: 224.75
  Hydrophobic surface: 330.072  Hydrophilic surface: 143.081
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.