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MAYBRIDGE-ZINC00081773

 MMsINC code: MMs02128966
Type: Neutral
Formula: C12H10FNO4S2
SMILES:   s1ccc(S(=O)(=O)Nc2ccc(F)cc2)c1C(OC)=O
InChI:   InChI=1/C12H10FNO4S2/c1-18-12(15)11-10(6-7-19-11)20(16,17)14-9-4-2-8(13)3-5-9/h2-7,14H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.5788 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.345 g/mol  logS: -3.5301  SlogP: 2.4746  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.204215  Sterimol/B1: 2.30296  Sterimol/B2: 2.45473  Sterimol/B3: 5.5102
  Sterimol/B4: 7.65498  Sterimol/L: 12.8523 
 
 Surface and Volume Properties
  Accessible surface: 476.77  Positive charged surface: 234.517  Negative charged surface: 242.252  Volume: 247
  Hydrophobic surface: 379.331  Hydrophilic surface: 97.439
 
 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.