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ENAMINE-ZINC02531009

 MMsINC code: MMs01251634
Type: Neutral
Formula: C6H6Cl2N2O2S
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)NN
InChI:   InChI=1/C6H6Cl2N2O2S/c7-4-1-2-5(8)6(3-4)13(11,12)10-9/h1-3,10H,9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.6387 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.098 g/mol  logS: -3.06  SlogP: 1.1454  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10078  Sterimol/B1: 2.54587  Sterimol/B2: 3.4141  Sterimol/B3: 3.91013
  Sterimol/B4: 4.94317  Sterimol/L: 10.4953 
 
 Surface and Volume Properties
  Accessible surface: 367.433  Positive charged surface: 135.902  Negative charged surface: 231.531  Volume: 173.5
  Hydrophobic surface: 223.887  Hydrophilic surface: 143.546
 
 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: no related molecules available.