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MAYBRIDGE-ZINC04321580

 MMsINC code: MMs02165197
Type: Neutral
Formula: C18H13FO4S
SMILES:   S(Oc1ccc(Oc2ccccc2)cc1)(=O)(=O)c1ccc(F)cc1
InChI:   InChI=1/C18H13FO4S/c19-14-6-12-18(13-7-14)24(20,21)23-17-10-8-16(9-11-17)22-15-4-2-1-3-5-15/h1-13H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.044 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.362 g/mol  logS: -5.5599  SlogP: 4.3857  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0780435  Sterimol/B1: 2.88644  Sterimol/B2: 4.4222  Sterimol/B3: 4.47272
  Sterimol/B4: 5.14084  Sterimol/L: 15.8327 
 
 Surface and Volume Properties
  Accessible surface: 543.127  Positive charged surface: 257.118  Negative charged surface: 286.009  Volume: 296.875
  Hydrophobic surface: 472.819  Hydrophilic surface: 70.308
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.