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PUBCHEM-ZINC00471214

 MMsINC code: MMs02687962
Type: Neutral
Formula: C11H17NO2S2
SMILES:   S(C)c1ccc(S(=O)(=O)NC(C)(C)C)cc1
InChI:   InChI=1/C11H17NO2S2/c1-11(2,3)12-16(13,14)10-7-5-9(15-4)6-8-10/h5-8,12H,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.6035 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.394 g/mol  logS: -3.22589  SlogP: 2.4853  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.148713  Sterimol/B1: 2.47488  Sterimol/B2: 3.29434  Sterimol/B3: 4.61124
  Sterimol/B4: 5.80271  Sterimol/L: 13.48 
 
 Surface and Volume Properties
  Accessible surface: 450.282  Positive charged surface: 244.294  Negative charged surface: 205.988  Volume: 240.75
  Hydrophobic surface: 289.674  Hydrophilic surface: 160.608
 
 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.