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ENAMINE-ZINC03578354

 MMsINC code: MMs01516464
Type: Neutral
Formula: C15H11F3N2O2
SMILES:   Fc1cc(F)ccc1\C=N\NC(=O)COc1ccccc1F
InChI:   InChI=1/C15H11F3N2O2/c16-11-6-5-10(13(18)7-11)8-19-20-15(21)9-22-14-4-2-1-3-12(14)17/h1-8H,9H2,(H,20,21)/b19-8+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.8766 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.259 g/mol  logS: -4.49991  SlogP: 2.633  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00197718  Sterimol/B1: 2.37299  Sterimol/B2: 2.3771  Sterimol/B3: 2.56138
  Sterimol/B4: 5.45619  Sterimol/L: 18.9575 
 
 Surface and Volume Properties
  Accessible surface: 540.708  Positive charged surface: 281.901  Negative charged surface: 258.807  Volume: 261.875
  Hydrophobic surface: 450.531  Hydrophilic surface: 90.177
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.