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MAYBRIDGE-ZINC00134742

 MMsINC code: MMs02138058
Type: Neutral
Formula: C11H15NO5S
SMILES:   S(=O)(=O)(NC(C(OC)=O)CO)c1ccc(cc1)C
InChI:   InChI=1/C11H15NO5S/c1-8-3-5-9(6-4-8)18(15,16)12-10(7-13)11(14)17-2/h3-6,10,12-13H,7H2,1-2H3/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=30.1486 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.309 g/mol  logS: -1.90241  SlogP: -0.19278  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144897  Sterimol/B1: 3.31183  Sterimol/B2: 3.89934  Sterimol/B3: 4.2112
  Sterimol/B4: 6.10735  Sterimol/L: 13.2455 
 
 Surface and Volume Properties
  Accessible surface: 489.516  Positive charged surface: 307.805  Negative charged surface: 181.711  Volume: 237.125
  Hydrophobic surface: 339.468  Hydrophilic surface: 150.048
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.