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MAYBRIDGE-ZINC01025059

 MMsINC code: MMs02148228
Type: Neutral
Formula: C14H9F6N3O2
SMILES:   FC(F)(F)c1cc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cnc1
InChI:   InChI=1/C14H9F6N3O2/c15-13(16,17)8-5-10(7-21-6-8)23-12(24)22-9-1-3-11(4-2-9)25-14(18,19)20/h1-7H,(H2,22,23,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.0175 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.233 g/mol  logS: -4.23979  SlogP: 5.3744  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0428372  Sterimol/B1: 2.42677  Sterimol/B2: 2.6097  Sterimol/B3: 4.05146
  Sterimol/B4: 6.6321  Sterimol/L: 16.0702 
 
 Surface and Volume Properties
  Accessible surface: 534.159  Positive charged surface: 227.845  Negative charged surface: 306.313  Volume: 266
  Hydrophobic surface: 237.876  Hydrophilic surface: 296.283
 
 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.