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ASINEX-ZINC00344704

 MMsINC code: MMs00121634
Type: Neutral
Formula: C7H6ClF2NO2S
SMILES:   Clc1ccc(S(=O)(=O)C(F)F)cc1N
InChI:   InChI=1/C7H6ClF2NO2S/c8-5-2-1-4(3-6(5)11)14(12,13)7(9)10/h1-3,7H,11H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.6623 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.645 g/mol  logS: -2.06461  SlogP: 2.3384  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110125  Sterimol/B1: 2.81951  Sterimol/B2: 3.0803  Sterimol/B3: 3.3003
  Sterimol/B4: 5.28004  Sterimol/L: 11.3314 
 
 Surface and Volume Properties
  Accessible surface: 368.551  Positive charged surface: 135.736  Negative charged surface: 232.816  Volume: 172
  Hydrophobic surface: 181.606  Hydrophilic surface: 186.945
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.