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IBS-ZINC02330440

 MMsINC code: MMs01834279
Type: Ionized
Formula: C13H8ClN2O4S2-
SMILES:   Clc1sc(S(=O)(=O)Nc2c3c([nH]c2C(=O)[O-])cccc3)cc1
InChI:   InChI=1/C13H9ClN2O4S2/c14-9-5-6-10(21-9)22(19,20)16-11-7-3-1-2-4-8(7)15-12(11)13(17)18/h1-6,15-16H,(H,17,18)/p-1

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Potential Energy
Epot(MMFF94)=-6.15672 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.802 g/mol  logS: -4.72995  SlogP: 2.0471  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.354483  Sterimol/B1: 3.14104  Sterimol/B2: 3.73115  Sterimol/B3: 5.20553
  Sterimol/B4: 8.09887  Sterimol/L: 11.5971 
 
 Surface and Volume Properties
  Accessible surface: 500.066  Positive charged surface: 163.529  Negative charged surface: 333.941  Volume: 272.875
  Hydrophobic surface: 326.202  Hydrophilic surface: 173.864
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  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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MMs01834278
IBS-ZINC02330440