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CHEMBLOCK-ZINC02503716

 MMsINC code: MMs00532492
Type: Ionized
Formula: C11H14NO6S2-
SMILES:   S(=O)(=O)(NC(CCS(=O)(=O)C)C(=O)[O-])c1ccccc1
InChI:   InChI=1/C11H15NO6S2/c1-19(15,16)8-7-10(11(13)14)12-20(17,18)9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3,(H,13,14)/p-1/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=23.9104 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.366 g/mol  logS: -1.79209  SlogP: -1.4819  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.252361  Sterimol/B1: 2.99184  Sterimol/B2: 3.54093  Sterimol/B3: 4.14703
  Sterimol/B4: 7.37594  Sterimol/L: 11.5047 
 
 Surface and Volume Properties
  Accessible surface: 472.485  Positive charged surface: 206.43  Negative charged surface: 266.055  Volume: 257.75
  Hydrophobic surface: 251.003  Hydrophilic surface: 221.482
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 2  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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MMs00532491
CHEMBLOCK-ZINC02503716