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PUBCHEM-ZINC02387348

 MMsINC code: MMs02886699
Type: Neutral
Formula: C18H30O2
SMILES:   O(CCCCCC)c1ccccc1OCCCCCC
InChI:   InChI=1/C18H30O2/c1-3-5-7-11-15-19-17-13-9-10-14-18(17)20-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.8767 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.436 g/mol  logS: -5.63492  SlogP: 5.6048  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0150545  Sterimol/B1: 2.02072  Sterimol/B2: 2.38089  Sterimol/B3: 2.38172
  Sterimol/B4: 9.99389  Sterimol/L: 20.3867 
 
 Surface and Volume Properties
  Accessible surface: 646.513  Positive charged surface: 495.707  Negative charged surface: 150.806  Volume: 318.75
  Hydrophobic surface: 591.478  Hydrophilic surface: 55.035
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.