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ASINEX-ZINC00133373

 MMsINC code: MMs00080635
Type: Ionized
Formula: C12H8FO4-
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)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.5919 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.19 g/mol  logS: -3.63248  SlogP: 1.6276  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0150457  Sterimol/B1: 2.28609  Sterimol/B2: 2.46317  Sterimol/B3: 2.96712
  Sterimol/B4: 5.07366  Sterimol/L: 15.4973 
 
 Surface and Volume Properties
  Accessible surface: 441.286  Positive charged surface: 194.129  Negative charged surface: 247.157  Volume: 203.125
  Hydrophobic surface: 328.171  Hydrophilic surface: 113.115
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs00080634
ASINEX-ZINC00133373