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MAYBRIDGE-ZINC04361912

 MMsINC code: MMs02170734
Type: Neutral
Formula: C16H11F6NO3
SMILES:   FC(F)(F)c1cc(cc(Nc2ccc(OC)cc2C(O)=O)c1)C(F)(F)F
InChI:   InChI=1/C16H11F6NO3/c1-26-11-2-3-13(12(7-11)14(24)25)23-10-5-8(15(17,18)19)4-9(6-10)16(20,21)22/h2-7,23H,1H3,(H,24,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.702 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.256 g/mol  logS: -5.13808  SlogP: 5.7976  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.16115  Sterimol/B1: 3.4808  Sterimol/B2: 4.30044  Sterimol/B3: 4.76137
  Sterimol/B4: 5.46343  Sterimol/L: 15.5655 
 
 Surface and Volume Properties
  Accessible surface: 547.669  Positive charged surface: 239.661  Negative charged surface: 308.008  Volume: 287
  Hydrophobic surface: 239.088  Hydrophilic surface: 308.581
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02170735
MAYBRIDGE-ZINC04361912