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MAYBRIDGE-ZINC01043426

 MMsINC code: MMs02155175
Type: Neutral
Formula: C20H16F3N3O3
SMILES:   FC(F)(F)c1cc(NC(=O)Nc2cccnc2Oc2ccc(OC)cc2)ccc1
InChI:   InChI=1/C20H16F3N3O3/c1-28-15-7-9-16(10-8-15)29-18-17(6-3-11-24-18)26-19(27)25-14-5-2-4-13(12-14)20(21,22)23/h2-12H,1H3,(H2,25,26,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=117.08 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.36 g/mol  logS: -5.19481  SlogP: 5.8568  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0515805  Sterimol/B1: 2.46192  Sterimol/B2: 3.67649  Sterimol/B3: 4.37155
  Sterimol/B4: 8.18142  Sterimol/L: 20.6738 
 
 Surface and Volume Properties
  Accessible surface: 656.885  Positive charged surface: 377.624  Negative charged surface: 279.261  Volume: 344.875
  Hydrophobic surface: 477.49  Hydrophilic surface: 179.395
 
 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: no related molecules available.