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ENAMINE-ZINC00111361

 MMsINC code: MMs01224283
Type: Neutral
Formula: C11H9F2NO2S2
SMILES:   s1cccc1CNS(=O)(=O)c1c(F)cccc1F
InChI:   InChI=1/C11H9F2NO2S2/c12-9-4-1-5-10(13)11(9)18(15,16)14-7-8-3-2-6-17-8/h1-6,14H,7H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-8.13694 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.326 g/mol  logS: -3.38739  SlogP: 2.7712  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134296  Sterimol/B1: 2.34855  Sterimol/B2: 3.5586  Sterimol/B3: 4.30595
  Sterimol/B4: 5.68896  Sterimol/L: 13.9649 
 
 Surface and Volume Properties
  Accessible surface: 454.244  Positive charged surface: 185.47  Negative charged surface: 268.773  Volume: 226.25
  Hydrophobic surface: 374.818  Hydrophilic surface: 79.426
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.