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ASINEX-ZINC03292363

 MMsINC code: MMs00288506
Type: Neutral
Formula: C10H13NO4S2
SMILES:   S(=O)(=O)(NC1CCS(=O)(=O)C1)c1ccccc1
InChI:   InChI=1/C10H13NO4S2/c12-16(13)7-6-9(8-16)11-17(14,15)10-4-2-1-3-5-10/h1-5,9,11H,6-8H2/t9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.1793 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.349 g/mol  logS: -1.68464  SlogP: 0.152  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156396  Sterimol/B1: 3.25673  Sterimol/B2: 3.40055  Sterimol/B3: 3.94359
  Sterimol/B4: 6.3007  Sterimol/L: 11.929 
 
 Surface and Volume Properties
  Accessible surface: 437.597  Positive charged surface: 208.508  Negative charged surface: 229.089  Volume: 224.5
  Hydrophobic surface: 281.599  Hydrophilic surface: 155.998
 
 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.