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PUBCHEM-ZINC06527980

MMsINC code: MMs03783823

Type: Neutral
Formula: C12H8ClF2NO2S
SMILES:   Clc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1F
InChI:   InChI=1/C12H8ClF2NO2S/c13-11-7-10(5-6-12(11)15)19(17,18)16-9-3-1-8(14)2-4-9/h1-7,16H

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=31.7572 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.716 g/mol  logS: -4.37097  SlogP: 3.419  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.263198  Sterimol/B1: 2.5866  Sterimol/B2: 4.48325  Sterimol/B3: 4.60035
  Sterimol/B4: 5.43177  Sterimol/L: 12.3204 
 
 Surface and Volume Properties
  Accessible surface: 455.634  Positive charged surface: 172.875  Negative charged surface: 282.759  Volume: 233.5
  Hydrophobic surface: 375.023  Hydrophilic surface: 80.611
 
 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.