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APOLLO-ZINC02572876

 MMsINC code: MMs00054800
Type: Neutral
Formula: C8H5F3O3
SMILES:   FC(F)(F)c1cc(O)ccc1C(O)=O
InChI:   InChI=1/C8H5F3O3/c9-8(10,11)6-3-4(12)1-2-5(6)7(13)14/h1-3,12H,(H,13,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.7576 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.119 g/mol  logS: -2.04888  SlogP: 2.4207  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0382996  Sterimol/B1: 2.49681  Sterimol/B2: 2.62304  Sterimol/B3: 2.77726
  Sterimol/B4: 6.1237  Sterimol/L: 10.1628 
 
 Surface and Volume Properties
  Accessible surface: 337.687  Positive charged surface: 145.945  Negative charged surface: 191.742  Volume: 148.625
  Hydrophobic surface: 116.474  Hydrophilic surface: 221.213
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00054801
APOLLO-ZINC02572876