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APOLLO-ZINC00340539

 MMsINC code: MMs00048718
Type: Ionized
Formula: C6H4F2NO2S-
SMILES:   S(=O)([O-])(=[NH])c1cc(F)c(F)cc1
InChI:   InChI=1/C6H4F2NO2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H,(H-,9,10,11)/q-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.8082 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.165 g/mol  logS: -2.22584  SlogP: 0.9364  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0965652  Sterimol/B1: 2.44303  Sterimol/B2: 2.8454  Sterimol/B3: 3.27591
  Sterimol/B4: 5.14664  Sterimol/L: 10.024 
 
 Surface and Volume Properties
  Accessible surface: 319.615  Positive charged surface: 104.567  Negative charged surface: 215.048  Volume: 136.75
  Hydrophobic surface: 215.599  Hydrophilic surface: 104.016
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  Acid groups: 3  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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Parent related molecule:


MMs00048717
APOLLO-ZINC00340539