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PUBCHEM-ZINC06379992

 MMsINC code: MMs03693454
Type: Neutral
Formula: C15H14O6
SMILES:   o1c(ccc1COc1ccc(cc1)CC(O)=O)C(OC)=O
InChI:   InChI=1/C15H14O6/c1-19-15(18)13-7-6-12(21-13)9-20-11-4-2-10(3-5-11)8-14(16)17/h2-7H,8-9H2,1H3,(H,16,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.0956 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.271 g/mol  logS: -3.52025  SlogP: 2.53867  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0435168  Sterimol/B1: 2.53777  Sterimol/B2: 3.32733  Sterimol/B3: 4.04822
  Sterimol/B4: 6.96728  Sterimol/L: 17.9479 
 
 Surface and Volume Properties
  Accessible surface: 549.464  Positive charged surface: 347.798  Negative charged surface: 201.666  Volume: 263.25
  Hydrophobic surface: 385.708  Hydrophilic surface: 163.756
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03693455
PUBCHEM-ZINC06379992