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PUBCHEM-ZINC00180260

 MMsINC code: MMs02636918
Type: Neutral
Formula: C12H9F2NO4S2
SMILES:   s1ccc(S(=O)(=O)Nc2ccc(F)cc2F)c1C(OC)=O
InChI:   InChI=1/C12H9F2NO4S2/c1-19-12(16)11-10(4-5-20-11)21(17,18)15-9-3-2-7(13)6-8(9)14/h2-6,15H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.0017 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.335 g/mol  logS: -3.82508  SlogP: 2.6137  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.189137  Sterimol/B1: 2.51616  Sterimol/B2: 2.65095  Sterimol/B3: 5.46472
  Sterimol/B4: 7.65486  Sterimol/L: 12.902 
 
 Surface and Volume Properties
  Accessible surface: 480.542  Positive charged surface: 221.894  Negative charged surface: 258.648  Volume: 250.875
  Hydrophobic surface: 386.714  Hydrophilic surface: 93.828
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.