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CHEMDIV-ZINC00238298

 MMsINC code: MMs00845035
Type: Neutral
Formula: C14H11NO6S
SMILES:   S(=O)(=O)(Nc1ccccc1C(O)=O)c1ccc(cc1)C(O)=O
InChI:   InChI=1/C14H11NO6S/c16-13(17)9-5-7-10(8-6-9)22(20,21)15-12-4-2-1-3-11(12)14(18)19/h1-8,15H,(H,16,17)(H,18,19)

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Potential Energy
Epot(MMFF94)=52.6678 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.309 g/mol  logS: -2.98552  SlogP: 1.8838  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.297651  Sterimol/B1: 2.44685  Sterimol/B2: 4.20065  Sterimol/B3: 5.32682
  Sterimol/B4: 6.98309  Sterimol/L: 11.8852 
 
 Surface and Volume Properties
  Accessible surface: 495.779  Positive charged surface: 251.837  Negative charged surface: 243.942  Volume: 261.875
  Hydrophobic surface: 243.972  Hydrophilic surface: 251.807
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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


MMs00845036
CHEMDIV-ZINC00238298