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PUBCHEM-ZINC01257541

 MMsINC code: MMs02791732
Type: Neutral
Formula: C15H11F3O2
SMILES:   FC(F)(F)c1cc(ccc1)-c1ccc(cc1)CC(O)=O
InChI:   InChI=1/C15H11F3O2/c16-15(17,18)13-3-1-2-12(9-13)11-6-4-10(5-7-11)8-14(19)20/h1-7,9H,8H2,(H,19,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.8197 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.245 g/mol  logS: -4.89868  SlogP: 4.31097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0362397  Sterimol/B1: 2.4747  Sterimol/B2: 2.90714  Sterimol/B3: 3.25708
  Sterimol/B4: 6.10452  Sterimol/L: 15.2838 
 
 Surface and Volume Properties
  Accessible surface: 477.189  Positive charged surface: 197.892  Negative charged surface: 268.226  Volume: 239.125
  Hydrophobic surface: 278.961  Hydrophilic surface: 198.228
 
 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


MMs02791733
PUBCHEM-ZINC01257541