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PUBCHEM-ZINC06046907

 MMsINC code: MMs03513036
Type: Neutral
Formula: C10H19NO2
SMILES:   O(CC)C(=O)N1CC(CC(C1)C)C
InChI:   InChI=1/C10H19NO2/c1-4-13-10(12)11-6-8(2)5-9(3)7-11/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1

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Potential Energy
Epot(MMFF94)=5.86484 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.267 g/mol  logS: -1.21884  SlogP: 2.1208  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110904  Sterimol/B1: 3.02711  Sterimol/B2: 3.69474  Sterimol/B3: 3.88297
  Sterimol/B4: 4.01649  Sterimol/L: 12.9415 
 
 Surface and Volume Properties
  Accessible surface: 411.735  Positive charged surface: 320.657  Negative charged surface: 91.0781  Volume: 199
  Hydrophobic surface: 318.022  Hydrophilic surface: 93.713
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.