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PUBCHEM-ZINC05333966

 MMsINC code: MMs03242748
Type: Neutral
Formula: C18H18O3
SMILES:   O(C(=O)c1ccc(cc1)CC(=O)c1ccc(cc1)C)CC
InChI:   InChI=1/C18H18O3/c1-3-21-18(20)16-10-6-14(7-11-16)12-17(19)15-8-4-13(2)5-9-15/h4-11H,3,12H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.2548 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.339 g/mol  logS: -4.70202  SlogP: 3.59709  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0388866  Sterimol/B1: 2.42829  Sterimol/B2: 2.79936  Sterimol/B3: 3.84768
  Sterimol/B4: 5.39005  Sterimol/L: 19.516 
 
 Surface and Volume Properties
  Accessible surface: 562.472  Positive charged surface: 345.029  Negative charged surface: 217.443  Volume: 285.375
  Hydrophobic surface: 474.54  Hydrophilic surface: 87.932
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.