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APOLLO-ZINC00165768

 MMsINC code: MMs00047878
Type: Neutral
Formula: C10H6F3NO2
SMILES:   FC(F)(F)Oc1cc(ccc1)-c1nocc1
InChI:   InChI=1/C10H6F3NO2/c11-10(12,13)16-8-3-1-2-7(6-8)9-4-5-15-14-9/h1-6H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.2553 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.157 g/mol  logS: -3.61574  SlogP: 3.6601  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0135908  Sterimol/B1: 2.54409  Sterimol/B2: 2.59045  Sterimol/B3: 2.68542
  Sterimol/B4: 5.47518  Sterimol/L: 13.2646 
 
 Surface and Volume Properties
  Accessible surface: 383.151  Positive charged surface: 122.616  Negative charged surface: 260.536  Volume: 177.875
  Hydrophobic surface: 236.699  Hydrophilic surface: 146.452
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.