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ALFAAESAR-ZINC01255236

 MMsINC code: MMs00021213
Type: Neutral
Formula: C6H6Cl2N2O2S
SMILES:   Clc1cc(S(=O)(=O)N)cc(Cl)c1N
InChI:   InChI=1/C6H6Cl2N2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.7683 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.098 g/mol  logS: -2.80095  SlogP: 1.223  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0739278  Sterimol/B1: 2.73044  Sterimol/B2: 3.27595  Sterimol/B3: 3.55274
  Sterimol/B4: 5.9501  Sterimol/L: 10.7915 
 
 Surface and Volume Properties
  Accessible surface: 371.648  Positive charged surface: 134.479  Negative charged surface: 237.169  Volume: 172
  Hydrophobic surface: 196.218  Hydrophilic surface: 175.43
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs00021214
ALFAAESAR-ZINC01255236