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PUBCHEM-ZINC06883494

 MMsINC code: MMs03887586
Type: Neutral
Formula: C10H20N2O2
SMILES:   OC(=O)CN1CCN(CC1)CC(C)C
InChI:   InChI=1/C10H20N2O2/c1-9(2)7-11-3-5-12(6-4-11)8-10(13)14/h9H,3-8H2,1-2H3,(H,13,14)

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Potential Energy
Epot(MMFF94)=60.0584 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.282 g/mol  logS: -0.26175  SlogP: 0.3446  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0974044  Sterimol/B1: 2.71476  Sterimol/B2: 3.59713  Sterimol/B3: 3.84619
  Sterimol/B4: 4.10091  Sterimol/L: 14.338 
 
 Surface and Volume Properties
  Accessible surface: 429.235  Positive charged surface: 339.882  Negative charged surface: 89.3529  Volume: 208.75
  Hydrophobic surface: 292.421  Hydrophilic surface: 136.814
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.