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ALFAAESAR-ZINC02560503

 MMsINC code: MMs00023747
Type: Neutral
Formula: C16H26O
SMILES:   OCCCCCCCCCCc1ccccc1
InChI:   InChI=1/C16H26O/c17-15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h7,9-10,13-14,17H,1-6,8,11-12,15H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.3819 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.383 g/mol  logS: -5.02568  SlogP: 4.34217  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0346318  Sterimol/B1: 2.097  Sterimol/B2: 3.61674  Sterimol/B3: 3.6293
  Sterimol/B4: 4.28257  Sterimol/L: 20.5532 
 
 Surface and Volume Properties
  Accessible surface: 566.354  Positive charged surface: 424.303  Negative charged surface: 142.051  Volume: 275.625
  Hydrophobic surface: 511.992  Hydrophilic surface: 54.362
 
 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.