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APOLLO-ZINC00164757

 MMsINC code: MMs00047562
Type: Neutral
Formula: C10H9F3O4
SMILES:   FC(F)(F)COc1ccc(OC)cc1C(O)=O
InChI:   InChI=1/C10H9F3O4/c1-16-6-2-3-8(7(4-6)9(14)15)17-5-10(11,12)13/h2-4H,5H2,1H3,(H,14,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.132 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.172 g/mol  logS: -2.53803  SlogP: 2.7544  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0273582  Sterimol/B1: 2.63682  Sterimol/B2: 2.63934  Sterimol/B3: 2.71358
  Sterimol/B4: 6.96912  Sterimol/L: 12.9696 
 
 Surface and Volume Properties
  Accessible surface: 421.566  Positive charged surface: 227.381  Negative charged surface: 194.185  Volume: 194
  Hydrophobic surface: 214.996  Hydrophilic surface: 206.57
 
 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


MMs00047563
APOLLO-ZINC00164757