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CHEMBRIDGE-ZINC02991166

 MMsINC code: MMs00747158
Type: Neutral
Formula: C20H23ClO4
SMILES:   Clc1cc(OCCOCCOc2ccc(cc2OC)\C=C\C)ccc1
InChI:   InChI=1/C20H23ClO4/c1-3-5-16-8-9-19(20(14-16)22-2)25-13-11-23-10-12-24-18-7-4-6-17(21)15-18/h3-9,14-15H,10-13H2,1-2H3/b5-3+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=105.784 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.853 g/mol  logS: -5.63438  SlogP: 4.8561  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125101  Sterimol/B1: 2.83726  Sterimol/B2: 3.32744  Sterimol/B3: 6.95077
  Sterimol/B4: 7.18254  Sterimol/L: 19.4072 
 
 Surface and Volume Properties
  Accessible surface: 701.839  Positive charged surface: 453.971  Negative charged surface: 247.868  Volume: 356
  Hydrophobic surface: 665.461  Hydrophilic surface: 36.378
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.