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ENAMINE-ZINC06787457

MMsINC code: MMs01697328

Type: Neutral
Formula: C12H8ClF2NO2S
SMILES:   Clc1cc(S(=O)(=O)Nc2cc(F)c(F)cc2)ccc1
InChI:   InChI=1/C12H8ClF2NO2S/c13-8-2-1-3-10(6-8)19(17,18)16-9-4-5-11(14)12(15)7-9/h1-7,16H

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=25.7112 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: 0.205985  Sterimol/B1: 2.30531  Sterimol/B2: 2.49865  Sterimol/B3: 5.00096
  Sterimol/B4: 6.46177  Sterimol/L: 12.7204 
 
 Surface and Volume Properties
  Accessible surface: 456.141  Positive charged surface: 172.53  Negative charged surface: 283.611  Volume: 232.875
  Hydrophobic surface: 373.795  Hydrophilic surface: 82.346
 
 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.