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ACROSORGANICS-ZINC02569740

 MMsINC code: MMs00014605
Type: Neutral
Formula: C5H5F3O2
SMILES:   FC(F)(F)C1CCOC1=O
InChI:   InChI=1/C5H5F3O2/c6-5(7,8)3-1-2-10-4(3)9/h3H,1-2H2/t3-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-0.936979 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.087 g/mol  logS: -1.18879  SlogP: 1.5317  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.237424  Sterimol/B1: 2.19533  Sterimol/B2: 2.91594  Sterimol/B3: 3.24237
  Sterimol/B4: 5.1205  Sterimol/L: 8.22823 
 
 Surface and Volume Properties
  Accessible surface: 278.885  Positive charged surface: 128.111  Negative charged surface: 150.774  Volume: 108.5
  Hydrophobic surface: 117.351  Hydrophilic surface: 161.534
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.