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ENAMINE-ZINC05269058

 MMsINC code: MMs01606282
Type: Neutral
Formula: C13H12N2O4S
SMILES:   S(=O)(=O)(C)c1ccc(NC(=O)C=2C=CC(=O)NC=2)cc1
InChI:   InChI=1/C13H12N2O4S/c1-20(18,19)11-5-3-10(4-6-11)15-13(17)9-2-7-12(16)14-8-9/h2-8H,1H3,(H,14,16)(H,15,17)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.8983 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.315 g/mol  logS: -2.83705  SlogP: 0.5985  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0313408  Sterimol/B1: 2.33421  Sterimol/B2: 3.07638  Sterimol/B3: 4.45839
  Sterimol/B4: 4.66249  Sterimol/L: 16.874 
 
 Surface and Volume Properties
  Accessible surface: 486.436  Positive charged surface: 237.257  Negative charged surface: 249.179  Volume: 248.875
  Hydrophobic surface: 303.56  Hydrophilic surface: 182.876
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.