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CHEMBLOCK-ZINC01428807

 MMsINC code: MMs00522579
Type: Neutral
Formula: C18H14F3N3O
SMILES:   FC(F)(F)c1cc(ccc1)C(=O)Nc1ccc(cc1)Cn1ccnc1
InChI:   InChI=1/C18H14F3N3O/c19-18(20,21)15-3-1-2-14(10-15)17(25)23-16-6-4-13(5-7-16)11-24-9-8-22-12-24/h1-10,12H,11H2,(H,23,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.696 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.324 g/mol  logS: -4.67755  SlogP: 4.7804  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0364773  Sterimol/B1: 2.51717  Sterimol/B2: 3.25593  Sterimol/B3: 3.94871
  Sterimol/B4: 6.03775  Sterimol/L: 18.001 
 
 Surface and Volume Properties
  Accessible surface: 570.53  Positive charged surface: 294.989  Negative charged surface: 275.541  Volume: 301.75
  Hydrophobic surface: 386.231  Hydrophilic surface: 184.299
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.