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ASINEX-ZINC00207916

 MMsINC code: MMs00092507
Type: Neutral
Formula: C15H10O5
SMILES:   OC(=O)c1cc(ccc1)C(=O)c1cc(ccc1)C(O)=O
InChI:   InChI=1/C15H10O5/c16-13(9-3-1-5-11(7-9)14(17)18)10-4-2-6-12(8-10)15(19)20/h1-8H,(H,17,18)(H,19,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.1961 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.24 g/mol  logS: -3.39649  SlogP: 2.314  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0540168  Sterimol/B1: 2.097  Sterimol/B2: 3.63294  Sterimol/B3: 3.85438
  Sterimol/B4: 6.45749  Sterimol/L: 12.2254 
 
 Surface and Volume Properties
  Accessible surface: 462.956  Positive charged surface: 244.563  Negative charged surface: 218.394  Volume: 237
  Hydrophobic surface: 252.367  Hydrophilic surface: 210.589
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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


MMs00092508
ASINEX-ZINC00207916