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NCID-ZINC01641161

 MMsINC code: MMs02283175
Type: Neutral
Formula: C11H10O6
SMILES:   O(C(=O)C)c1ccc(OC(=O)C)cc1C(O)=O
InChI:   InChI=1/C11H10O6/c1-6(12)16-8-3-4-10(17-7(2)13)9(5-8)11(14)15/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)=57.7151 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: 0.0576063  Sterimol/B1: 2.70569  Sterimol/B2: 3.53483  Sterimol/B3: 3.7225
  Sterimol/B4: 5.54427  Sterimol/L: 13.6495 
 
 Surface and Volume Properties
  Accessible surface: 442.098  Positive charged surface: 252.469  Negative charged surface: 189.629  Volume: 207.125
  Hydrophobic surface: 282.197  Hydrophilic surface: 159.901
 
 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


MMs02283176
NCID-ZINC01641161