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ACROSORGANICS-ZINC01705972

 MMsINC code: MMs00011459
Type: Neutral
Formula: C9H7F3O
SMILES:   FC(F)(F)C(=O)Cc1ccccc1
InChI:   InChI=1/C9H7F3O/c10-9(11,12)8(13)6-7-4-2-1-3-5-7/h1-5H,6H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.3203 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.148 g/mol  logS: -2.83425  SlogP: 2.78037  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.089325  Sterimol/B1: 3.02037  Sterimol/B2: 3.13443  Sterimol/B3: 3.6175
  Sterimol/B4: 3.61756  Sterimol/L: 11.0622 
 
 Surface and Volume Properties
  Accessible surface: 353.797  Positive charged surface: 140.975  Negative charged surface: 212.822  Volume: 155
  Hydrophobic surface: 216.222  Hydrophilic surface: 137.575
 
 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.