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ASINEX-ZINC04854610

 MMsINC code: MMs00383544
Type: Neutral
Formula: C16H33NO
SMILES:   OCCCCCCCCCCCN1CCCCC1
InChI:   InChI=1/C16H33NO/c18-16-12-7-5-3-1-2-4-6-9-13-17-14-10-8-11-15-17/h18H,1-16H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.76861 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.446 g/mol  logS: -3.42322  SlogP: 3.9755  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0186369  Sterimol/B1: 2.93217  Sterimol/B2: 3.29446  Sterimol/B3: 3.32007
  Sterimol/B4: 4.37639  Sterimol/L: 21.9997 
 
 Surface and Volume Properties
  Accessible surface: 611.695  Positive charged surface: 529.313  Negative charged surface: 82.3829  Volume: 300.375
  Hydrophobic surface: 556.532  Hydrophilic surface: 55.163
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs00383545
ASINEX-ZINC04854610