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ENAMINE-ZINC03290160

 MMsINC code: MMs01352837
Type: Neutral
Formula: C15H14N2O5S
SMILES:   S(=O)(=O)(NNc1ccc(cc1)C(O)=O)c1cc(ccc1)C(=O)C
InChI:   InChI=1/C15H14N2O5S/c1-10(18)12-3-2-4-14(9-12)23(21,22)17-16-13-7-5-11(6-8-13)15(19)20/h2-9,16-17H,1H3,(H,19,20)

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Potential Energy
Epot(MMFF94)=88.7288 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.352 g/mol  logS: -3.30832  SlogP: 1.8928  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0355487  Sterimol/B1: 2.21397  Sterimol/B2: 3.18078  Sterimol/B3: 3.75857
  Sterimol/B4: 7.87825  Sterimol/L: 16.848 
 
 Surface and Volume Properties
  Accessible surface: 556.451  Positive charged surface: 277.526  Negative charged surface: 278.924  Volume: 284.5
  Hydrophobic surface: 326.684  Hydrophilic surface: 229.767
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs01352838
ENAMINE-ZINC03290160