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NCID-ZINC01635785

 MMsINC code: MMs02279455
Type: Neutral
Formula: C6H5Cl2NO3S
SMILES:   Clc1cc(Cl)cc(S(=O)(=O)N)c1O
InChI:   InChI=1/C6H5Cl2NO3S/c7-3-1-4(8)6(10)5(2-3)13(9,11)12/h1-2,10H,(H2,9,11,12)

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Potential Energy
Epot(MMFF94)=0.340715 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.082 g/mol  logS: -2.71812  SlogP: 1.3464  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107214  Sterimol/B1: 3.08713  Sterimol/B2: 3.18129  Sterimol/B3: 3.18145
  Sterimol/B4: 6.23716  Sterimol/L: 10.1349 
 
 Surface and Volume Properties
  Accessible surface: 371.514  Positive charged surface: 121.524  Negative charged surface: 249.99  Volume: 166.75
  Hydrophobic surface: 211.658  Hydrophilic surface: 159.856
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs02279456
NCID-ZINC01635785