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PUBCHEM-ZINC05985199

 MMsINC code: MMs03477582
Type: Neutral
Formula: C19H14F3NO2
SMILES:   FC(F)(F)c1cc2c(nc(cc2C(O)=O)-c2ccc(cc2)CC)cc1
InChI:   InChI=1/C19H14F3NO2/c1-2-11-3-5-12(6-4-11)17-10-15(18(24)25)14-9-13(19(20,21)22)7-8-16(14)23-17/h3-10H,2H2,1H3,(H,24,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.142 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.32 g/mol  logS: -6.38369  SlogP: 5.49267  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0172112  Sterimol/B1: 2.04761  Sterimol/B2: 3.44935  Sterimol/B3: 4.20883
  Sterimol/B4: 6.49418  Sterimol/L: 17.2285 
 
 Surface and Volume Properties
  Accessible surface: 561.997  Positive charged surface: 257.795  Negative charged surface: 293.845  Volume: 298
  Hydrophobic surface: 328.864  Hydrophilic surface: 233.133
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03477583
PUBCHEM-ZINC05985199