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PUBCHEM-ZINC01995244

 MMsINC code: MMs02838489
Type: Neutral
Formula: C14H14O3
SMILES:   O(c1ccc(OC)cc1)c1ccc(OC)cc1
InChI:   InChI=1/C14H14O3/c1-15-11-3-7-13(8-4-11)17-14-9-5-12(16-2)6-10-14/h3-10H,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.565 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.263 g/mol  logS: -3.26835  SlogP: 3.4961  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0628447  Sterimol/B1: 2.67382  Sterimol/B2: 3.64248  Sterimol/B3: 3.77278
  Sterimol/B4: 4.66757  Sterimol/L: 16.0081 
 
 Surface and Volume Properties
  Accessible surface: 467.496  Positive charged surface: 326.589  Negative charged surface: 140.907  Volume: 229.875
  Hydrophobic surface: 446.909  Hydrophilic surface: 20.587
 
 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.