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APOLLO-ZINC00154055

 MMsINC code: MMs00044214
Type: Neutral
Formula: C10H9F3O2
SMILES:   FC(F)(F)c1cc(ccc1)CCC(O)=O
InChI:   InChI=1/C10H9F3O2/c11-10(12,13)8-3-1-2-7(6-8)4-5-9(14)15/h1-3,6H,4-5H2,(H,14,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.2994 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.174 g/mol  logS: -2.35422  SlogP: 3.03407  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0738406  Sterimol/B1: 2.49484  Sterimol/B2: 2.73336  Sterimol/B3: 3.10219
  Sterimol/B4: 5.98611  Sterimol/L: 12.7823 
 
 Surface and Volume Properties
  Accessible surface: 394.188  Positive charged surface: 171.717  Negative charged surface: 222.471  Volume: 178.5
  Hydrophobic surface: 191.548  Hydrophilic surface: 202.64
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs00044215
APOLLO-ZINC00154055