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ACROSORGANICS-ZINC01569058

 MMsINC code: MMs00009283
Type: Neutral
Formula: C6H5Cl3N2O2S
SMILES:   Clc1cc(Cl)c(Cl)cc1S(=O)(=O)NN
InChI:   InChI=1/C6H5Cl3N2O2S/c7-3-1-5(9)6(2-4(3)8)14(12,13)11-10/h1-2,11H,10H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.9803 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.543 g/mol  logS: -3.79429  SlogP: 1.7988  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.190901  Sterimol/B1: 3.14038  Sterimol/B2: 3.68731  Sterimol/B3: 3.73805
  Sterimol/B4: 5.73516  Sterimol/L: 10.902 
 
 Surface and Volume Properties
  Accessible surface: 393.674  Positive charged surface: 114.635  Negative charged surface: 279.039  Volume: 188.75
  Hydrophobic surface: 245.821  Hydrophilic surface: 147.853
 
 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.