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FDA-ZINC00896918

 MMsINC code: MMs01725332
Type: Neutral
Formula: C6H6Cl2N2O4S2
SMILES:   Clc1c(S(=O)(=O)N)cc(S(=O)(=O)N)cc1Cl
InChI:   InChI=1/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)

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Potential Energy
Epot(MMFF94)=-21.3343 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.162 g/mol  logS: -3.30668  SlogP: 0.2882  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0980048  Sterimol/B1: 3.13291  Sterimol/B2: 3.57638  Sterimol/B3: 3.60812
  Sterimol/B4: 6.52884  Sterimol/L: 11.5104 
 
 Surface and Volume Properties
  Accessible surface: 417.427  Positive charged surface: 139.783  Negative charged surface: 277.644  Volume: 201.375
  Hydrophobic surface: 163.995  Hydrophilic surface: 253.432
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs01725333
FDA-ZINC00896918