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CHEMDIV-ZINC02336000

 MMsINC code: MMs00874018
Type: Neutral
Formula: C12H5F5O4
SMILES:   Fc1c(OCc2oc(cc2)C(O)=O)c(F)c(F)c(F)c1F
InChI:   InChI=1/C12H5F5O4/c13-6-7(14)9(16)11(10(17)8(6)15)20-3-4-1-2-5(21-4)12(18)19/h1-2H,3H2,(H,18,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.4153 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.158 g/mol  logS: -4.55195  SlogP: 3.5187  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0167666  Sterimol/B1: 2.46349  Sterimol/B2: 2.59897  Sterimol/B3: 2.71627
  Sterimol/B4: 5.87714  Sterimol/L: 15.2369 
 
 Surface and Volume Properties
  Accessible surface: 464.663  Positive charged surface: 193.547  Negative charged surface: 271.116  Volume: 216.375
  Hydrophobic surface: 339.142  Hydrophilic surface: 125.521
 
 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


MMs00874019
CHEMDIV-ZINC02336000