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CHEMBRIDGE-ZINC00318480

 MMsINC code: MMs00608177
Type: Neutral
Formula: C13H23NO
SMILES:   O=C(N1CC(CCC1)C)C1CCCCC1
InChI:   InChI=1/C13H23NO/c1-11-6-5-9-14(10-11)13(15)12-7-3-2-4-8-12/h11-12H,2-10H2,1H3/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=21.5673 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.333 g/mol  logS: -2.46756  SlogP: 2.8252  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125113  Sterimol/B1: 2.10109  Sterimol/B2: 2.91584  Sterimol/B3: 3.69937
  Sterimol/B4: 6.66092  Sterimol/L: 12.3731 
 
 Surface and Volume Properties
  Accessible surface: 442.439  Positive charged surface: 349.734  Negative charged surface: 92.7054  Volume: 228.25
  Hydrophobic surface: 396.525  Hydrophilic surface: 45.914
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.