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APOLLO-ZINC01519699

 MMsINC code: MMs00049360
Type: Neutral
Formula: C11H8F3NO
SMILES:   FC(F)(F)Oc1ccc(-n2cccc2)cc1
InChI:   InChI=1/C11H8F3NO/c12-11(13,14)16-10-5-3-9(4-6-10)15-7-1-2-8-15/h1-8H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.722 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.185 g/mol  logS: -2.7353  SlogP: 3.7958  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0115544  Sterimol/B1: 2.63652  Sterimol/B2: 2.6406  Sterimol/B3: 3.82188
  Sterimol/B4: 4.04516  Sterimol/L: 13.7482 
 
 Surface and Volume Properties
  Accessible surface: 396.708  Positive charged surface: 135.983  Negative charged surface: 260.725  Volume: 189.625
  Hydrophobic surface: 242.449  Hydrophilic surface: 154.259
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.