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CHEMDIV-ZINC06916878

 MMsINC code: MMs01061582
Type: Neutral
Formula: C19H16FNO4S2
SMILES:   s1cc(-c2ccccc2)c(S(=O)(=O)Nc2cc(F)c(cc2)C)c1C(OC)=O
InChI:   InChI=1/C19H16FNO4S2/c1-12-8-9-14(10-16(12)20)21-27(23,24)18-15(13-6-4-3-5-7-13)11-26-17(18)19(22)25-2/h3-11,21H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.9764 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.47 g/mol  logS: -6.11695  SlogP: 4.45002  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.231573  Sterimol/B1: 2.34076  Sterimol/B2: 3.67822  Sterimol/B3: 5.02941
  Sterimol/B4: 9.06021  Sterimol/L: 13.9018 
 
 Surface and Volume Properties
  Accessible surface: 587.479  Positive charged surface: 325.206  Negative charged surface: 262.273  Volume: 341
  Hydrophobic surface: 511.423  Hydrophilic surface: 76.056
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.