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ASINEX-ZINC01171008

 MMsINC code: MMs00230014
Type: Neutral
Formula: C8H5F6NO4S2
SMILES:   S(=O)(=O)(C(F)(F)F)c1cc(N)cc(S(=O)(=O)C(F)(F)F)c1
InChI:   InChI=1/C8H5F6NO4S2/c9-7(10,11)20(16,17)5-1-4(15)2-6(3-5)21(18,19)8(12,13)14/h1-3H,15H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.251 g/mol  logS: -3.66504  SlogP: 2.6956  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128678  Sterimol/B1: 3.1654  Sterimol/B2: 3.93306  Sterimol/B3: 4.03756
  Sterimol/B4: 5.32151  Sterimol/L: 12.3798 
 
 Surface and Volume Properties
  Accessible surface: 444.459  Positive charged surface: 97.7551  Negative charged surface: 346.704  Volume: 215
  Hydrophobic surface: 62.0023  Hydrophilic surface: 382.4567
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.