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PUBCHEM-ZINC05916134

 MMsINC code: MMs03442582
Type: Neutral
Formula: C10H19NO
SMILES:   O=C(N1CC(CC(C1)C)C)CC
InChI:   InChI=1/C10H19NO/c1-4-10(12)11-6-8(2)5-9(3)7-11/h8-9H,4-7H2,1-3H3/t8-,9-/m0/s1

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Potential Energy
Epot(MMFF94)=20.2873 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.268 g/mol  logS: -1.02394  SlogP: 1.9009  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.177979  Sterimol/B1: 3.00239  Sterimol/B2: 3.9698  Sterimol/B3: 4.32185
  Sterimol/B4: 4.48785  Sterimol/L: 10.8359 
 
 Surface and Volume Properties
  Accessible surface: 381.185  Positive charged surface: 293.983  Negative charged surface: 87.2024  Volume: 191.25
  Hydrophobic surface: 297.554  Hydrophilic surface: 83.631
 
 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.