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APOLLO-ZINC01324237

 MMsINC code: MMs00049147
Type: Neutral
Formula: C6H6Cl2N2O2S
SMILES:   Clc1cc(S(=O)(=O)NN)ccc1Cl
InChI:   InChI=1/C6H6Cl2N2O2S/c7-5-2-1-4(3-6(5)8)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)=56.1413 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: 0.141202  Sterimol/B1: 2.47313  Sterimol/B2: 3.17611  Sterimol/B3: 3.63023
  Sterimol/B4: 6.16345  Sterimol/L: 10.9411 
 
 Surface and Volume Properties
  Accessible surface: 380.203  Positive charged surface: 137.755  Negative charged surface: 242.447  Volume: 174.5
  Hydrophobic surface: 224.218  Hydrophilic surface: 155.985
 
 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.