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ENAMINE-ZINC00657010

 MMsINC code: MMs01234856
Type: Neutral
Formula: C18H14F2N2O4S2
SMILES:   S(=O)(=O)(Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChI:   InChI=1/C18H14F2N2O4S2/c19-13-5-9-15(10-6-13)27(23,24)21-17-3-1-2-4-18(17)22-28(25,26)16-11-7-14(20)8-12-16/h1-12,21-22H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.6902 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.448 g/mol  logS: -5.29852  SlogP: 3.5664  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14881  Sterimol/B1: 2.42144  Sterimol/B2: 4.16063  Sterimol/B3: 5.34569
  Sterimol/B4: 6.94742  Sterimol/L: 15.8234 
 
 Surface and Volume Properties
  Accessible surface: 587.288  Positive charged surface: 245.214  Negative charged surface: 342.074  Volume: 335.625
  Hydrophobic surface: 443.417  Hydrophilic surface: 143.871
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.