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CHEMBRIDGE-ZINC00306043

 MMsINC code: MMs00605054
Type: Neutral
Formula: C16H27NO
SMILES:   O=C(NCCC=1CCCCC=1)CC1CCCCC1
InChI:   InChI=1/C16H27NO/c18-16(13-15-9-5-2-6-10-15)17-12-11-14-7-3-1-4-8-14/h7,15H,1-6,8-13H2,(H,17,18)

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Potential Energy
Epot(MMFF94)=20.6937 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.398 g/mol  logS: -4.41365  SlogP: 3.9635  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.050133  Sterimol/B1: 3.23972  Sterimol/B2: 3.54344  Sterimol/B3: 3.7161
  Sterimol/B4: 4.6794  Sterimol/L: 17.1411 
 
 Surface and Volume Properties
  Accessible surface: 536.972  Positive charged surface: 428.102  Negative charged surface: 108.87  Volume: 278.625
  Hydrophobic surface: 484.107  Hydrophilic surface: 52.865
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.