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CHEMBLOCK-ZINC04618752

 MMsINC code: MMs00562418
Type: Neutral
Formula: C11H9NO4S2
SMILES:   s1cc(S(=O)(=O)Nc2ccccc2)cc1C(O)=O
InChI:   InChI=1/C11H9NO4S2/c13-11(14)10-6-9(7-17-10)18(15,16)12-8-4-2-1-3-5-8/h1-7,12H,(H,13,14)

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Potential Energy
Epot(MMFF94)=31.7901 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.328 g/mol  logS: -2.82279  SlogP: 2.2471  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.232844  Sterimol/B1: 2.51334  Sterimol/B2: 3.58226  Sterimol/B3: 4.17998
  Sterimol/B4: 7.54571  Sterimol/L: 11.0825 
 
 Surface and Volume Properties
  Accessible surface: 453.212  Positive charged surface: 199.326  Negative charged surface: 253.886  Volume: 226.75
  Hydrophobic surface: 271.819  Hydrophilic surface: 181.393
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs00562419
CHEMBLOCK-ZINC04618752