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ACROSORGANICS-ZINC01693868

 MMsINC code: MMs00011219
Type: Neutral
Formula: C3H3F5O
SMILES:   FC(F)(CO)C(F)(F)F
InChI:   InChI=1/C3H3F5O/c4-2(5,1-9)3(6,7)8/h9H,1H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.1263 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.046 g/mol  logS: -1.17433  SlogP: 2.0161  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.297881  Sterimol/B1: 2.73679  Sterimol/B2: 2.98143  Sterimol/B3: 3.32303
  Sterimol/B4: 3.46414  Sterimol/L: 7.80134 
 
 Surface and Volume Properties
  Accessible surface: 254.164  Positive charged surface: 83.6924  Negative charged surface: 170.471  Volume: 88.125
  Hydrophobic surface: 46.2705  Hydrophilic surface: 207.8935
 
 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


MMs00011220
ACROSORGANICS-ZINC01693868