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ENAMINE-ZINC06654314

 MMsINC code: MMs01694209
Type: Neutral
Formula: C19H18FNO4S2
SMILES:   s1cccc1S(=O)(=O)N(CCOc1ccc(F)cc1)c1ccccc1OC
InChI:   InChI=1/C19H18FNO4S2/c1-24-18-6-3-2-5-17(18)21(27(22,23)19-7-4-14-26-19)12-13-25-16-10-8-15(20)9-11-16/h2-11,14H,12-13H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.193 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.486 g/mol  logS: -5.27739  SlogP: 4.1701  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123856  Sterimol/B1: 2.63656  Sterimol/B2: 3.94929  Sterimol/B3: 5.20973
  Sterimol/B4: 8.27938  Sterimol/L: 16.447 
 
 Surface and Volume Properties
  Accessible surface: 604.113  Positive charged surface: 327.848  Negative charged surface: 276.266  Volume: 355
  Hydrophobic surface: 565.533  Hydrophilic surface: 38.58
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.