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NCID-ZINC01859079

 MMsINC code: MMs02372943
Type: Neutral
Formula: C8H11NO4S2
SMILES:   S(=O)(=O)(CS(=O)(=O)N)c1ccc(cc1)C
InChI:   InChI=1/C8H11NO4S2/c1-7-2-4-8(5-3-7)14(10,11)6-15(9,12)13/h2-5H,6H2,1H3,(H2,9,12,13)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-6.38834 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.311 g/mol  logS: -1.90208  SlogP: 0.01472  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144673  Sterimol/B1: 2.60402  Sterimol/B2: 2.99492  Sterimol/B3: 4.38332
  Sterimol/B4: 5.62798  Sterimol/L: 11.8669 
 
 Surface and Volume Properties
  Accessible surface: 407.638  Positive charged surface: 209.614  Negative charged surface: 198.024  Volume: 196.75
  Hydrophobic surface: 232.879  Hydrophilic surface: 174.759
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02372944
NCID-ZINC01859079