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ENAMINE-ZINC03275836

 MMsINC code: MMs01345177
Type: Neutral
Formula: C10H12N2O5S
SMILES:   S(=O)(=O)(NC)c1cc(ccc1)C(OCC(=O)N)=O
InChI:   InChI=1/C10H12N2O5S/c1-12-18(15,16)8-4-2-3-7(5-8)10(14)17-6-9(11)13/h2-5,12H,6H2,1H3,(H2,11,13)

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Potential Energy
Epot(MMFF94)=21.8167 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.281 g/mol  logS: -1.88315  SlogP: -0.7632  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0472233  Sterimol/B1: 2.2872  Sterimol/B2: 2.35644  Sterimol/B3: 4.66982
  Sterimol/B4: 6.90274  Sterimol/L: 14.817 
 
 Surface and Volume Properties
  Accessible surface: 473.354  Positive charged surface: 288.26  Negative charged surface: 185.094  Volume: 227.125
  Hydrophobic surface: 230.667  Hydrophilic surface: 242.687
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: no related molecules available.