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ALFAAESAR-ZINC02555306

 MMsINC code: MMs00023577
Type: Neutral
Formula: C16H30O
SMILES:   OCCCCCCCCCCC#CCCCC
InChI:   InChI=1/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-4,7-16H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.54859 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.415 g/mol  logS: -5.87294  SlogP: 4.68321  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.012382  Sterimol/B1: 2.37505  Sterimol/B2: 2.37587  Sterimol/B3: 3.01225
  Sterimol/B4: 3.30314  Sterimol/L: 24.0898 
 
 Surface and Volume Properties
  Accessible surface: 620.636  Positive charged surface: 509.164  Negative charged surface: 111.471  Volume: 294.625
  Hydrophobic surface: 512.635  Hydrophilic surface: 108.001
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.