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APOLLO-ZINC01713566

 MMsINC code: MMs00049876
Type: Neutral
Formula: C6H9F3O2
SMILES:   FC(F)(F)C(OCCCC)=O
InChI:   InChI=1/C6H9F3O2/c1-2-3-4-11-5(10)6(7,8)9/h2-4H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.9 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.13 g/mol  logS: -2.1259  SlogP: 2.3119  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0553546  Sterimol/B1: 2.32285  Sterimol/B2: 2.63779  Sterimol/B3: 2.63835
  Sterimol/B4: 3.71836  Sterimol/L: 12.3625 
 
 Surface and Volume Properties
  Accessible surface: 348.985  Positive charged surface: 173.395  Negative charged surface: 175.59  Volume: 139.375
  Hydrophobic surface: 167.556  Hydrophilic surface: 181.429
 
 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.