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PUBCHEM-ZINC05640784

 MMsINC code: MMs03332289
Type: Neutral
Formula: C20H33NO5
SMILES:   O(CCOCCOCCOCCN1CCCCC1)c1ccccc1OC
InChI:   InChI=1/C20H33NO5/c1-22-19-7-3-4-8-20(19)26-18-17-25-16-15-24-14-13-23-12-11-21-9-5-2-6-10-21/h3-4,7-8H,2,5-6,9-18H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.876 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.486 g/mol  logS: -2.5656  SlogP: 2.6097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0718418  Sterimol/B1: 2.55381  Sterimol/B2: 2.94504  Sterimol/B3: 5.65393
  Sterimol/B4: 7.41088  Sterimol/L: 20.5119 
 
 Surface and Volume Properties
  Accessible surface: 760.952  Positive charged surface: 647.802  Negative charged surface: 113.151  Volume: 381
  Hydrophobic surface: 737.754  Hydrophilic surface: 23.198
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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


MMs03332290
PUBCHEM-ZINC05640784