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IBS-ZINC01801583

 MMsINC code: MMs01775710
Type: Neutral
Formula: C28H23FO4S
SMILES:   S(=O)(=O)(C(CC(=O)c1ccc(F)cc1)c1ccc(OCc2ccccc2)cc1)c1ccccc1
InChI:   InChI=1/C28H23FO4S/c29-24-15-11-22(12-16-24)27(30)19-28(34(31,32)26-9-5-2-6-10-26)23-13-17-25(18-14-23)33-20-21-7-3-1-4-8-21/h1-18,28H,19-20H2/t28-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=159.525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 474.552 g/mol  logS: -7.3879  SlogP: 6.5546  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109797  Sterimol/B1: 3.20904  Sterimol/B2: 3.76817  Sterimol/B3: 5.52707
  Sterimol/B4: 6.59986  Sterimol/L: 20.8422 
 
 Surface and Volume Properties
  Accessible surface: 733.683  Positive charged surface: 368.807  Negative charged surface: 364.876  Volume: 436.875
  Hydrophobic surface: 654.929  Hydrophilic surface: 78.754
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.