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CHEMBRIDGE-ZINC00465420

 MMsINC code: MMs00624579
Type: Neutral
Formula: C16H29NO
SMILES:   O=C(N1CCCCC1CC)CCC1CCCCC1
InChI:   InChI=1/C16H29NO/c1-2-15-10-6-7-13-17(15)16(18)12-11-14-8-4-3-5-9-14/h14-15H,2-13H2,1H3/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=48.0158 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.414 g/mol  logS: -4.13866  SlogP: 4.138  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0592981  Sterimol/B1: 2.52569  Sterimol/B2: 2.69968  Sterimol/B3: 3.9094
  Sterimol/B4: 7.37482  Sterimol/L: 14.6982 
 
 Surface and Volume Properties
  Accessible surface: 522.346  Positive charged surface: 426.532  Negative charged surface: 95.8136  Volume: 280.375
  Hydrophobic surface: 481.813  Hydrophilic surface: 40.533
 
 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.