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ASINEX-ZINC00133373

 MMsINC code: MMs00080634
Type: Neutral
Formula: C12H9FO4
SMILES:   Fc1ccc(OCc2oc(cc2)C(O)=O)cc1
InChI:   InChI=1/C12H9FO4/c13-8-1-3-9(4-2-8)16-7-10-5-6-11(17-10)12(14)15/h1-6H,7H2,(H,14,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.6579 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.198 g/mol  logS: -3.37203  SlogP: 2.9623  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0770957  Sterimol/B1: 2.23113  Sterimol/B2: 2.43748  Sterimol/B3: 4.15765
  Sterimol/B4: 4.65652  Sterimol/L: 15.2312 
 
 Surface and Volume Properties
  Accessible surface: 446.165  Positive charged surface: 226.876  Negative charged surface: 219.289  Volume: 202.375
  Hydrophobic surface: 320.079  Hydrophilic surface: 126.086
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs00080635
ASINEX-ZINC00133373