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ASINEX-ZINC01170873

 MMsINC code: MMs00230012
Type: Neutral
Formula: C9H6F6O5S2
SMILES:   S(=O)(=O)(C(F)(F)F)c1cc(S(=O)(=O)C(F)(F)F)ccc1OC
InChI:   InChI=1/C9H6F6O5S2/c1-20-6-3-2-5(21(16,17)8(10,11)12)4-7(6)22(18,19)9(13,14)15/h2-4H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=116.835 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.262 g/mol  logS: -3.99454  SlogP: 3.122  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1305  Sterimol/B1: 2.18519  Sterimol/B2: 3.18941  Sterimol/B3: 3.73577
  Sterimol/B4: 6.97765  Sterimol/L: 12.3059 
 
 Surface and Volume Properties
  Accessible surface: 463.686  Positive charged surface: 127.204  Negative charged surface: 336.483  Volume: 228.75
  Hydrophobic surface: 149.903  Hydrophilic surface: 313.783
 
 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.