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NCID-ZINC01670505

 MMsINC code: MMs02306528
Type: Neutral
Formula: C8H13NO2
SMILES:   O=C1N(C(CC)C)C(=O)CC1
InChI:   InChI=1/C8H13NO2/c1-3-6(2)9-7(10)4-5-8(9)11/h6H,3-5H2,1-2H3/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=-4.21636 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.197 g/mol  logS: -0.8133  SlogP: 0.9339  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.28647  Sterimol/B1: 2.08732  Sterimol/B2: 3.50172  Sterimol/B3: 4.2034
  Sterimol/B4: 5.89804  Sterimol/L: 9.21906 
 
 Surface and Volume Properties
  Accessible surface: 341.579  Positive charged surface: 220.531  Negative charged surface: 121.048  Volume: 156.875
  Hydrophobic surface: 236.467  Hydrophilic surface: 105.112
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.