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APOLLO-ZINC04100488

 MMsINC code: MMs00056772
Type: Neutral
Formula: C12H4F6O3S
SMILES:   S(Oc1c(F)c(F)c(F)c(F)c1F)(=O)(=O)c1ccc(F)cc1
InChI:   InChI=1/C12H4F6O3S/c13-5-1-3-6(4-2-5)22(19,20)21-12-10(17)8(15)7(14)9(16)11(12)18/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.0833 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.215 g/mol  logS: -5.25209  SlogP: 3.2889  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100959  Sterimol/B1: 2.63721  Sterimol/B2: 3.79017  Sterimol/B3: 4.29057
  Sterimol/B4: 5.11051  Sterimol/L: 12.3529 
 
 Surface and Volume Properties
  Accessible surface: 432.755  Positive charged surface: 134.233  Negative charged surface: 298.522  Volume: 223.625
  Hydrophobic surface: 363.413  Hydrophilic surface: 69.342
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.