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MDPI-ZINC00001279

 MMsINC code: MMs02175504
Type: Neutral
Formula: C7H7Cl2NO2S
SMILES:   ClN(Cl)S(=O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C7H7Cl2NO2S/c1-6-2-4-7(5-3-6)13(11,12)10(8)9/h2-5H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=42.3187 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.11 g/mol  logS: -3.62783  SlogP: 2.29332  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0920736  Sterimol/B1: 3.35304  Sterimol/B2: 3.35628  Sterimol/B3: 3.61701
  Sterimol/B4: 3.61844  Sterimol/L: 11.1189 
 
 Surface and Volume Properties
  Accessible surface: 392.716  Positive charged surface: 249.094  Negative charged surface: 143.623  Volume: 182.5
  Hydrophobic surface: 333.846  Hydrophilic surface: 58.87
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.