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APOLLO-ZINC04100465

 MMsINC code: MMs00056765
Type: Neutral
Formula: C13H7F5O4S
SMILES:   S(Oc1c(F)c(F)c(F)c(F)c1F)(=O)(=O)c1ccc(OC)cc1
InChI:   InChI=1/C13H7F5O4S/c1-21-6-2-4-7(5-3-6)23(19,20)22-13-11(17)9(15)8(14)10(16)12(13)18/h2-5H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.7707 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.251 g/mol  logS: -5.00749  SlogP: 3.1584  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0839494  Sterimol/B1: 3.11845  Sterimol/B2: 3.19695  Sterimol/B3: 3.523
  Sterimol/B4: 7.13798  Sterimol/L: 13.5564 
 
 Surface and Volume Properties
  Accessible surface: 472.513  Positive charged surface: 206.56  Negative charged surface: 265.953  Volume: 246.125
  Hydrophobic surface: 393.396  Hydrophilic surface: 79.117
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.