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PUBCHEM-ZINC06093265

 MMsINC code: MMs03539497
Type: Neutral
Formula: C11H14Cl2N2O5S
SMILES:   ClC(Cl)C(=O)NC(C(O)c1ccc(S(=O)(=O)N)cc1)CO
InChI:   InChI=1/C11H14Cl2N2O5S/c12-10(13)11(18)15-8(5-16)9(17)6-1-3-7(4-2-6)21(14,19)20/h1-4,8-10,16-17H,5H2,(H,15,18)(H2,14,19,20)/t8-,9-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.0328 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.214 g/mol  logS: -2.76383  SlogP: 0.1636  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142033  Sterimol/B1: 2.33031  Sterimol/B2: 2.83471  Sterimol/B3: 4.24121
  Sterimol/B4: 8.31444  Sterimol/L: 13.2651 
 
 Surface and Volume Properties
  Accessible surface: 527.901  Positive charged surface: 241.507  Negative charged surface: 286.394  Volume: 275.625
  Hydrophobic surface: 178.198  Hydrophilic surface: 349.703
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03539498
PUBCHEM-ZINC06093265