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OAKWOOD-ZINC04716462

 MMsINC code: MMs02553358
Type: Neutral
Formula: C12H3F7O3S
SMILES:   S(Oc1c(F)c(F)c(F)c(F)c1F)(=O)(=O)c1ccc(F)cc1F
InChI:   InChI=1/C12H3F7O3S/c13-4-1-2-6(5(14)3-4)23(20,21)22-12-10(18)8(16)7(15)9(17)11(12)19/h1-3H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.1097 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.205 g/mol  logS: -5.54707  SlogP: 3.428  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.16914  Sterimol/B1: 2.44511  Sterimol/B2: 4.66663  Sterimol/B3: 4.78995
  Sterimol/B4: 5.15024  Sterimol/L: 12.3738 
 
 Surface and Volume Properties
  Accessible surface: 442.734  Positive charged surface: 137.639  Negative charged surface: 305.096  Volume: 226.25
  Hydrophobic surface: 376.948  Hydrophilic surface: 65.786
 
 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.