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APOLLO-ZINC02243210

 MMsINC code: MMs00051168
Type: Neutral
Formula: C8H7F4NO
SMILES:   FC(F)(Oc1ccccc1N)C(F)F
InChI:   InChI=1/C8H7F4NO/c9-7(10)8(11,12)14-6-4-2-1-3-5(6)13/h1-4,7H,13H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.0286 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.142 g/mol  logS: -2.44355  SlogP: 3.3453  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0374608  Sterimol/B1: 2.60442  Sterimol/B2: 2.67153  Sterimol/B3: 3.44208
  Sterimol/B4: 5.15188  Sterimol/L: 11.3056 
 
 Surface and Volume Properties
  Accessible surface: 362.055  Positive charged surface: 161.774  Negative charged surface: 200.282  Volume: 156.875
  Hydrophobic surface: 173.855  Hydrophilic surface: 188.2
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.