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APOLLO-ZINC00167739

 MMsINC code: MMs00048307
Type: Neutral
Formula: C7H7F2N3O
SMILES:   Fc1cccc(F)c1NC(=O)NN
InChI:   InChI=1/C7H7F2N3O/c8-4-2-1-3-5(9)6(4)11-7(13)12-10/h1-3H,10H2,(H2,11,12,13)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.3383 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.149 g/mol  logS: -2.10407  SlogP: 0.96  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0735217  Sterimol/B1: 2.67511  Sterimol/B2: 3.54379  Sterimol/B3: 3.72639
  Sterimol/B4: 3.99632  Sterimol/L: 11.7107 
 
 Surface and Volume Properties
  Accessible surface: 355.997  Positive charged surface: 189.02  Negative charged surface: 166.977  Volume: 150
  Hydrophobic surface: 205.895  Hydrophilic surface: 150.102
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.