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MAYBRIDGE-ZINC00073586

 MMsINC code: MMs02127736
Type: Neutral
Formula: C11H15NO5S
SMILES:   S(=O)(=O)(N)c1ccc(OC(C(OCC)=O)C)cc1
InChI:   InChI=1/C11H15NO5S/c1-3-16-11(13)8(2)17-9-4-6-10(7-5-9)18(12,14)15/h4-8H,3H2,1-2H3,(H2,12,14,15)/t8-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.276 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.309 g/mol  logS: -2.72446  SlogP: 0.6644  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0739037  Sterimol/B1: 2.71576  Sterimol/B2: 2.72727  Sterimol/B3: 4.76777
  Sterimol/B4: 5.05385  Sterimol/L: 16.2722 
 
 Surface and Volume Properties
  Accessible surface: 501.195  Positive charged surface: 294.924  Negative charged surface: 206.271  Volume: 235.75
  Hydrophobic surface: 283.875  Hydrophilic surface: 217.32
 
 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


MMs02127737
MAYBRIDGE-ZINC00073586