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MAYBRIDGE-ZINC01033999

 MMsINC code: MMs02150549
Type: Neutral
Formula: C20H15F3N2O3
SMILES:   FC(F)(F)c1cc(Oc2ncc(NC(=O)c3cc(OC)ccc3)cc2)ccc1
InChI:   InChI=1/C20H15F3N2O3/c1-27-16-6-2-4-13(10-16)19(26)25-15-8-9-18(24-12-15)28-17-7-3-5-14(11-17)20(21,22)23/h2-12H,1H3,(H,25,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=120.364 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.345 g/mol  logS: -5.29763  SlogP: 5.4651  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.035449  Sterimol/B1: 3.99616  Sterimol/B2: 4.1816  Sterimol/B3: 4.38313
  Sterimol/B4: 4.71804  Sterimol/L: 20.891 
 
 Surface and Volume Properties
  Accessible surface: 635.224  Positive charged surface: 340.816  Negative charged surface: 294.408  Volume: 333.375
  Hydrophobic surface: 475.257  Hydrophilic surface: 159.967
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.