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IFLAB-ZINC00074535

 MMsINC code: MMs01972988
Type: Neutral
Formula: C11H9ClFNO2S2
SMILES:   Clc1cc(S(=O)(=O)NCc2sccc2)ccc1F
InChI:   InChI=1/C11H9ClFNO2S2/c12-10-6-9(3-4-11(10)13)18(15,16)14-7-8-2-1-5-17-8/h1-6,14H,7H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.8331 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.781 g/mol  logS: -3.8267  SlogP: 3.2855  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135724  Sterimol/B1: 2.56642  Sterimol/B2: 3.11932  Sterimol/B3: 5.16681
  Sterimol/B4: 5.73322  Sterimol/L: 14.1926 
 
 Surface and Volume Properties
  Accessible surface: 482.777  Positive charged surface: 171.544  Negative charged surface: 311.233  Volume: 239
  Hydrophobic surface: 396.983  Hydrophilic surface: 85.794
 
 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.