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ASINEX-ZINC00499921

 MMsINC code: MMs00137468
Type: Ionized
Formula: C11H10Cl2NO4S-
SMILES:   Clc1cc(Cl)c(S(=O)(=O)N2CCCC2)cc1C(=O)[O-]
InChI:   InChI=1/C11H11Cl2NO4S/c12-8-6-9(13)10(5-7(8)11(15)16)19(17,18)14-3-1-2-4-14/h5-6H,1-4H2,(H,15,16)/p-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.9192 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.176 g/mol  logS: -3.54925  SlogP: 1.1414  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.222559  Sterimol/B1: 3.62969  Sterimol/B2: 3.92009  Sterimol/B3: 4.4987
  Sterimol/B4: 5.84739  Sterimol/L: 12.3244 
 
 Surface and Volume Properties
  Accessible surface: 465.768  Positive charged surface: 186.234  Negative charged surface: 279.534  Volume: 249
  Hydrophobic surface: 320.06  Hydrophilic surface: 145.708
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs00137467
ASINEX-ZINC00499921