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CHEMBLOCK-ZINC00386196

 MMsINC code: MMs00504428
Type: Neutral
Formula: C12H11NO4S2
SMILES:   s1cc(S(=O)(=O)N(C)c2ccccc2)cc1C(O)=O
InChI:   InChI=1/C12H11NO4S2/c1-13(9-5-3-2-4-6-9)19(16,17)10-7-11(12(14)15)18-8-10/h2-8H,1H3,(H,14,15)

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Potential Energy
Epot(MMFF94)=64.237 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.355 g/mol  logS: -2.89837  SlogP: 2.2714  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0911695  Sterimol/B1: 2.40247  Sterimol/B2: 2.42966  Sterimol/B3: 4.77353
  Sterimol/B4: 7.30808  Sterimol/L: 13.2158 
 
 Surface and Volume Properties
  Accessible surface: 464.947  Positive charged surface: 214.856  Negative charged surface: 250.091  Volume: 244.75
  Hydrophobic surface: 310.682  Hydrophilic surface: 154.265
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00504429
CHEMBLOCK-ZINC00386196