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CHEMBRIDGE-ZINC02983590

 MMsINC code: MMs00745142
Type: Neutral
Formula: C20H25ClO4
SMILES:   Clc1ccc(OCCOCCOc2ccc(OCC)cc2)cc1CC
InChI:   InChI=1/C20H25ClO4/c1-3-16-15-19(9-10-20(16)21)25-14-12-22-11-13-24-18-7-5-17(6-8-18)23-4-2/h5-10,15H,3-4,11-14H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.5717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.869 g/mol  logS: -5.21019  SlogP: 4.77547  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0636944  Sterimol/B1: 2.43904  Sterimol/B2: 2.50177  Sterimol/B3: 5.69135
  Sterimol/B4: 8.21467  Sterimol/L: 20.0882 
 
 Surface and Volume Properties
  Accessible surface: 703.382  Positive charged surface: 464.445  Negative charged surface: 238.936  Volume: 358.75
  Hydrophobic surface: 635.519  Hydrophilic surface: 67.863
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.