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CHEMBLOCK-ZINC00266614

 MMsINC code: MMs00503558
Type: Neutral
Formula: C18H15NO4S
SMILES:   S(=O)(=O)(NC(C(O)=O)c1ccccc1)c1cc2c(cc1)cccc2
InChI:   InChI=1/C18H15NO4S/c20-18(21)17(14-7-2-1-3-8-14)19-24(22,23)16-11-10-13-6-4-5-9-15(13)12-16/h1-12,17,19H,(H,20,21)/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=55.2874 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.387 g/mol  logS: -4.86448  SlogP: 3.0395  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0873437  Sterimol/B1: 3.25963  Sterimol/B2: 3.88856  Sterimol/B3: 4.94307
  Sterimol/B4: 5.57787  Sterimol/L: 16.2539 
 
 Surface and Volume Properties
  Accessible surface: 547.089  Positive charged surface: 263.984  Negative charged surface: 276.585  Volume: 303.125
  Hydrophobic surface: 409.35  Hydrophilic surface: 137.739
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00503559
CHEMBLOCK-ZINC00266614