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IBS-ZINC00389338

 MMsINC code: MMs01735591
Type: Neutral
Formula: C11H10O6
SMILES:   O(C(=O)C)c1cc(OC(=O)C)ccc1C(O)=O
InChI:   InChI=1/C11H10O6/c1-6(12)16-8-3-4-9(11(14)15)10(5-8)17-7(2)13/h3-5H,1-2H3,(H,14,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.6054 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.195 g/mol  logS: -2.06132  SlogP: 1.2354  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0384641  Sterimol/B1: 2.84986  Sterimol/B2: 3.35366  Sterimol/B3: 3.75836
  Sterimol/B4: 5.9558  Sterimol/L: 13.469 
 
 Surface and Volume Properties
  Accessible surface: 443.879  Positive charged surface: 249.892  Negative charged surface: 193.987  Volume: 206
  Hydrophobic surface: 284.292  Hydrophilic surface: 159.587
 
 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


MMs01735592
IBS-ZINC00389338