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CHEMDIV-ZINC04371786

 MMsINC code: MMs00935124
Type: Neutral
Formula: C13H13NO4S2
SMILES:   s1ccc(S(=O)(=O)Nc2ccccc2C)c1C(OC)=O
InChI:   InChI=1/C13H13NO4S2/c1-9-5-3-4-6-10(9)14-20(16,17)11-7-8-19-12(11)13(15)18-2/h3-8,14H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.5256 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.382 g/mol  logS: -3.39559  SlogP: 2.64392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.190074  Sterimol/B1: 2.24516  Sterimol/B2: 3.80734  Sterimol/B3: 4.10106
  Sterimol/B4: 8.2057  Sterimol/L: 12.4763 
 
 Surface and Volume Properties
  Accessible surface: 491.455  Positive charged surface: 262.048  Negative charged surface: 229.408  Volume: 261.25
  Hydrophobic surface: 404.666  Hydrophilic surface: 86.789
 
 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.