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ENAMINE-ZINC02631197

 MMsINC code: MMs01262344
Type: Neutral
Formula: C12H9F2NO3S2
SMILES:   S1\C(=C\c2cc(OC)c(OC(F)F)cc2)\C(=O)NC1=S
InChI:   InChI=1/C12H9F2NO3S2/c1-17-8-4-6(2-3-7(8)18-11(13)14)5-9-10(16)15-12(19)20-9/h2-5,11H,1H3,(H,15,16,19)/b9-5+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.9956 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.336 g/mol  logS: -4.52857  SlogP: 3.2053  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0550577  Sterimol/B1: 1.969  Sterimol/B2: 2.25666  Sterimol/B3: 3.46358
  Sterimol/B4: 7.63454  Sterimol/L: 14.966 
 
 Surface and Volume Properties
  Accessible surface: 490  Positive charged surface: 235.983  Negative charged surface: 254.017  Volume: 247.5
  Hydrophobic surface: 211.901  Hydrophilic surface: 278.099
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.