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ENAMINE-ZINC00173123

 MMsINC code: MMs01226139
Type: Neutral
Formula: C6H5Cl2NO2S
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)N
InChI:   InChI=1/C6H5Cl2NO2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,(H2,9,10,11)

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Potential Energy
Epot(MMFF94)=-5.27302 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: 0.0914862  Sterimol/B1: 2.66623  Sterimol/B2: 3.59169  Sterimol/B3: 4.14214
  Sterimol/B4: 4.66331  Sterimol/L: 10.1933 
 
 Surface and Volume Properties
  Accessible surface: 355.116  Positive charged surface: 114.285  Negative charged surface: 240.831  Volume: 161.625
  Hydrophobic surface: 233.142  Hydrophilic surface: 121.974
 
 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


MMs01226140
ENAMINE-ZINC00173123