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PUBCHEM-ZINC05420288

 MMsINC code: MMs03263744
Type: Neutral
Formula: C17H28O5
SMILES:   O(CCOCCOCCOCCCC)c1ccccc1OC
InChI:   InChI=1/C17H28O5/c1-3-4-9-19-10-11-20-12-13-21-14-15-22-17-8-6-5-7-16(17)18-2/h5-8H,3-4,9-15H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.4405 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.406 g/mol  logS: -2.95776  SlogP: 2.9239  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0890213  Sterimol/B1: 3.72062  Sterimol/B2: 4.11625  Sterimol/B3: 4.48913
  Sterimol/B4: 6.98198  Sterimol/L: 19.1497 
 
 Surface and Volume Properties
  Accessible surface: 682.693  Positive charged surface: 565.098  Negative charged surface: 117.595  Volume: 329
  Hydrophobic surface: 635.998  Hydrophilic surface: 46.695
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.