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IBS-ZINC04828710

 MMsINC code: MMs01899332
Type: Neutral
Formula: C15H10N2O6S
SMILES:   S(=O)(=O)(N)c1ccc(N2C(=O)c3c(ccc(c3)C(O)=O)C2=O)cc1
InChI:   InChI=1/C15H10N2O6S/c16-24(22,23)10-4-2-9(3-5-10)17-13(18)11-6-1-8(15(20)21)7-12(11)14(17)19/h1-7H,(H,20,21)(H2,16,22,23)

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Potential Energy
Epot(MMFF94)=51.6926 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.319 g/mol  logS: -3.9546  SlogP: 0.8328  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0148924  Sterimol/B1: 2.586  Sterimol/B2: 3.06595  Sterimol/B3: 3.40978
  Sterimol/B4: 5.13247  Sterimol/L: 17.9437 
 
 Surface and Volume Properties
  Accessible surface: 527.696  Positive charged surface: 253.128  Negative charged surface: 274.568  Volume: 273.5
  Hydrophobic surface: 228.605  Hydrophilic surface: 299.091
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  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


MMs01899333
IBS-ZINC04828710