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ENAMINE-ZINC05342975

 MMsINC code: MMs01608278
Type: Neutral
Formula: C18H16FNO3S2
SMILES:   s1cccc1S(=O)(=O)N(Cc1ccccc1F)c1ccccc1OC
InChI:   InChI=1/C18H16FNO3S2/c1-23-17-10-5-4-9-16(17)20(13-14-7-2-3-8-15(14)19)25(21,22)18-11-6-12-24-18/h2-12H,13H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.6982 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.46 g/mol  logS: -5.20057  SlogP: 4.5577  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138936  Sterimol/B1: 2.39485  Sterimol/B2: 4.85374  Sterimol/B3: 5.24016
  Sterimol/B4: 7.22474  Sterimol/L: 14.3932 
 
 Surface and Volume Properties
  Accessible surface: 546.505  Positive charged surface: 296.163  Negative charged surface: 250.342  Volume: 326.875
  Hydrophobic surface: 497.614  Hydrophilic surface: 48.891
 
 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.