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PUBCHEM-ZINC00515167

 MMsINC code: MMs02698040
Type: Neutral
Formula: C18H20O4
SMILES:   O(Cc1ccc(cc1)C(OCC)=O)c1ccc(OCC)cc1
InChI:   InChI=1/C18H20O4/c1-3-20-16-9-11-17(12-10-16)22-13-14-5-7-15(8-6-14)18(19)21-4-2/h5-12H,3-4,13H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.6621 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.354 g/mol  logS: -4.28969  SlogP: 4.1074  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0320745  Sterimol/B1: 2.48253  Sterimol/B2: 3.41879  Sterimol/B3: 4.53289
  Sterimol/B4: 4.54689  Sterimol/L: 21.4257 
 
 Surface and Volume Properties
  Accessible surface: 609.17  Positive charged surface: 395.94  Negative charged surface: 213.23  Volume: 304
  Hydrophobic surface: 508.421  Hydrophilic surface: 100.749
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.