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ENAMINE-ZINC03249119

 MMsINC code: MMs01329564
Type: Neutral
Formula: C12H16N2O6S
SMILES:   S(=O)(=O)(N)c1ccc(NC(=O)COC(=O)COCC)cc1
InChI:   InChI=1/C12H16N2O6S/c1-2-19-8-12(16)20-7-11(15)14-9-3-5-10(6-4-9)21(13,17)18/h3-6H,2,7-8H2,1H3,(H,14,15)(H2,13,17,18)

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Potential Energy
Epot(MMFF94)=45.6764 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.334 g/mol  logS: -2.6916  SlogP: -0.1478  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0172134  Sterimol/B1: 2.83897  Sterimol/B2: 3.41921  Sterimol/B3: 4.08407
  Sterimol/B4: 4.15133  Sterimol/L: 20.377 
 
 Surface and Volume Properties
  Accessible surface: 570.946  Positive charged surface: 356.86  Negative charged surface: 214.087  Volume: 268.25
  Hydrophobic surface: 318.252  Hydrophilic surface: 252.694
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs01329565
ENAMINE-ZINC03249119