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PUBCHEM-ZINC05189327

 MMsINC code: MMs03221936
Type: Neutral
Formula: C16H30O
SMILES:   O=C1CCCCCCCCCCCCCCC1
InChI:   InChI=1/C16H30O/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-16/h1-15H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.9473 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.415 g/mol  logS: -5.90553  SlogP: 5.4206  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134064  Sterimol/B1: 2.55234  Sterimol/B2: 2.89599  Sterimol/B3: 3.2489
  Sterimol/B4: 8.88987  Sterimol/L: 11.4611 
 
 Surface and Volume Properties
  Accessible surface: 485.472  Positive charged surface: 383.041  Negative charged surface: 102.431  Volume: 282.375
  Hydrophobic surface: 457.839  Hydrophilic surface: 27.633
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.