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ENAMINE-ZINC01050170

 MMsINC code: MMs01237692
Type: Neutral
Formula: C11H14N2O5S
SMILES:   S(=O)(=O)(N(CC(O)=O)C)c1ccc(NC(=O)C)cc1
InChI:   InChI=1/C11H14N2O5S/c1-8(14)12-9-3-5-10(6-4-9)19(17,18)13(2)7-11(15)16/h3-6H,7H2,1-2H3,(H,12,14)(H,15,16)

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Potential Energy
Epot(MMFF94)=44.8062 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.308 g/mol  logS: -1.50373  SlogP: 0.3501  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0922448  Sterimol/B1: 3.05535  Sterimol/B2: 4.51243  Sterimol/B3: 4.55566
  Sterimol/B4: 4.56146  Sterimol/L: 13.8963 
 
 Surface and Volume Properties
  Accessible surface: 473.408  Positive charged surface: 293.902  Negative charged surface: 179.506  Volume: 243.625
  Hydrophobic surface: 281.562  Hydrophilic surface: 191.846
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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


MMs01237693
ENAMINE-ZINC01050170