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APOLLO-ZINC02560091

 MMsINC code: MMs00053746
Type: Neutral
Formula: C4H3F7O
SMILES:   FC(F)(OCC(F)(F)F)C(F)F
InChI:   InChI=1/C4H3F7O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.5347 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.053 g/mol  logS: -2.10358  SlogP: 3.6829  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128049  Sterimol/B1: 2.40149  Sterimol/B2: 2.69886  Sterimol/B3: 2.82762
  Sterimol/B4: 3.41184  Sterimol/L: 10.1608 
 
 Surface and Volume Properties
  Accessible surface: 308.87  Positive charged surface: 70.2358  Negative charged surface: 238.634  Volume: 114.625
  Hydrophobic surface: 55.4421  Hydrophilic surface: 253.4279
 
 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.