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PUBCHEM-ZINC03742260

 MMsINC code: MMs03067218
Type: Ionized
Formula: C19H15F3NO2-
SMILES:   FC(F)(F)c1ccccc1-c1[nH]c2c(cc(cc2C)C)c1CC(=O)[O-]
InChI:   InChI=1/C19H16F3NO2/c1-10-7-11(2)17-13(8-10)14(9-16(24)25)18(23-17)12-5-3-4-6-15(12)19(20,21)22/h3-8,23H,9H2,1-2H3,(H,24,25)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.5359 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.328 g/mol  logS: -6.05222  SlogP: 4.07441  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0929518  Sterimol/B1: 3.5695  Sterimol/B2: 3.82385  Sterimol/B3: 5.0549
  Sterimol/B4: 6.0595  Sterimol/L: 15.029 
 
 Surface and Volume Properties
  Accessible surface: 541.411  Positive charged surface: 250.341  Negative charged surface: 287.126  Volume: 306.125
  Hydrophobic surface: 380.97  Hydrophilic surface: 160.441
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  Acid groups: 2  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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Parent related molecule:


MMs03067217
PUBCHEM-ZINC03742260