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NIH-ZINC00571548

 MMsINC code: MMs02521952
Type: Neutral
Formula: C15H15NO4S2
SMILES:   S(C)c1ccc(S(=O)(=O)Nc2ccc(cc2)C(OC)=O)cc1
InChI:   InChI=1/C15H15NO4S2/c1-20-15(17)11-3-5-12(6-4-11)16-22(18,19)14-9-7-13(21-2)8-10-14/h3-10,16H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.3429 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.42 g/mol  logS: -4.44985  SlogP: 2.9959  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115816  Sterimol/B1: 2.98837  Sterimol/B2: 3.22102  Sterimol/B3: 4.58325
  Sterimol/B4: 7.59894  Sterimol/L: 15.6619 
 
 Surface and Volume Properties
  Accessible surface: 554.775  Positive charged surface: 307.442  Negative charged surface: 247.333  Volume: 293
  Hydrophobic surface: 391.072  Hydrophilic surface: 163.703
 
 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.