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ENAMINE-ZINC03340128

 MMsINC code: MMs01382625
Type: Neutral
Formula: C11H14N2O5S
SMILES:   S(=O)(=O)(N(C)C)c1cc(ccc1)C(=O)NCC(O)=O
InChI:   InChI=1/C11H14N2O5S/c1-13(2)19(17,18)9-5-3-4-8(6-9)11(16)12-7-10(14)15/h3-6H,7H2,1-2H3,(H,12,16)(H,14,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.0549 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.308 g/mol  logS: -1.44041  SlogP: -0.2487  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0522225  Sterimol/B1: 2.09195  Sterimol/B2: 2.95464  Sterimol/B3: 4.40353
  Sterimol/B4: 6.96837  Sterimol/L: 16.0396 
 
 Surface and Volume Properties
  Accessible surface: 495.876  Positive charged surface: 309.598  Negative charged surface: 186.278  Volume: 243.375
  Hydrophobic surface: 289.125  Hydrophilic surface: 206.751
 
 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


MMs01382626
ENAMINE-ZINC03340128