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MAYBRIDGE-ZINC00082918

 MMsINC code: MMs02129200
Type: Neutral
Formula: C11H8F2N2O3S2
SMILES:   s1ccc(NS(=O)(=O)c2ccc(F)cc2F)c1C(=O)N
InChI:   InChI=1/C11H8F2N2O3S2/c12-6-1-2-9(7(13)5-6)20(17,18)15-8-3-4-19-10(8)11(14)16/h1-5,15H,(H2,14,16)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.7115 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.324 g/mol  logS: -3.69547  SlogP: 1.926  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.327026  Sterimol/B1: 3.42629  Sterimol/B2: 3.908  Sterimol/B3: 5.17863
  Sterimol/B4: 5.69048  Sterimol/L: 11.3464 
 
 Surface and Volume Properties
  Accessible surface: 447.573  Positive charged surface: 190.976  Negative charged surface: 256.597  Volume: 234.125
  Hydrophobic surface: 275.327  Hydrophilic surface: 172.246
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.