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IFLAB-ZINC00172748

 MMsINC code: MMs01976755
Type: Neutral
Formula: C6H5Cl2NO2S
SMILES:   Clc1cc(S(=O)(=O)N)ccc1Cl
InChI:   InChI=1/C6H5Cl2NO2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H,(H2,9,10,11)

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Potential Energy
Epot(MMFF94)=1.1687 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.083 g/mol  logS: -3.08007  SlogP: 1.6408  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0998669  Sterimol/B1: 2.49431  Sterimol/B2: 2.83808  Sterimol/B3: 3.18395
  Sterimol/B4: 5.85396  Sterimol/L: 11.2337 
 
 Surface and Volume Properties
  Accessible surface: 360.993  Positive charged surface: 116.309  Negative charged surface: 244.684  Volume: 162.375
  Hydrophobic surface: 228.254  Hydrophilic surface: 132.739
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs01976756
IFLAB-ZINC00172748