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CHEMDIV-ZINC01157017

 MMsINC code: MMs00863458
Type: Neutral
Formula: C14H14N2O6S2
SMILES:   S(=O)(=O)(Nc1ccccc1C(OC)=O)c1ccc(S(=O)(=O)N)cc1
InChI:   InChI=1/C14H14N2O6S2/c1-22-14(17)12-4-2-3-5-13(12)16-24(20,21)11-8-6-10(7-9-11)23(15,18)19/h2-9,16H,1H3,(H2,15,18,19)

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Potential Energy
Epot(MMFF94)=37.5545 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.406 g/mol  logS: -3.65506  SlogP: 0.9214  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.225488  Sterimol/B1: 2.08481  Sterimol/B2: 3.71654  Sterimol/B3: 6.16397
  Sterimol/B4: 8.52753  Sterimol/L: 14.1994 
 
 Surface and Volume Properties
  Accessible surface: 553.614  Positive charged surface: 301.71  Negative charged surface: 251.904  Volume: 293.75
  Hydrophobic surface: 325.616  Hydrophilic surface: 227.998
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00863459
CHEMDIV-ZINC01157017