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ACROSORGANICS-ZINC02040619

 MMsINC code: MMs00012694
Type: Neutral
Formula: C3H3F3O2
SMILES:   FC(F)(F)C(OC)=O
InChI:   InChI=1/C3H3F3O2/c1-8-2(7)3(4,5)6/h1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.0824 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 128.049 g/mol  logS: -1.0817  SlogP: 1.1416  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106201  Sterimol/B1: 2.32791  Sterimol/B2: 2.63833  Sterimol/B3: 2.63838
  Sterimol/B4: 3.34574  Sterimol/L: 8.28924 
 
 Surface and Volume Properties
  Accessible surface: 256.196  Positive charged surface: 109.928  Negative charged surface: 146.268  Volume: 84.5
  Hydrophobic surface: 93.2429  Hydrophilic surface: 162.9531
 
 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.