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CHEMBLOCK-ZINC04783660

 MMsINC code: MMs00579426
Type: Neutral
Formula: C11H13NO4S3
SMILES:   S(C)c1ccc(S(=O)(=O)NC2C=CS(=O)(=O)C2)cc1
InChI:   InChI=1/C11H13NO4S3/c1-17-10-2-4-11(5-3-10)19(15,16)12-9-6-7-18(13,14)8-9/h2-7,9,12H,8H2,1H3/t9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.0054 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 319.426 g/mol  logS: -2.77684  SlogP: 0.9975  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125015  Sterimol/B1: 3.05197  Sterimol/B2: 3.59349  Sterimol/B3: 3.89675
  Sterimol/B4: 7.12654  Sterimol/L: 14.1255 
 
 Surface and Volume Properties
  Accessible surface: 496.81  Positive charged surface: 212.057  Negative charged surface: 284.753  Volume: 255.25
  Hydrophobic surface: 285.478  Hydrophilic surface: 211.332
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.