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MAYBRIDGE-ZINC01023973

 MMsINC code: MMs02147924
Type: Neutral
Formula: C16H11Cl2F2N3O2S2
SMILES:   Clc1sc(Cl)cc1S(=O)(=O)Nc1nc(-c2c(F)cccc2F)c(cn1)CC
InChI:   InChI=1/C16H11Cl2F2N3O2S2/c1-2-8-7-21-16(22-14(8)13-9(19)4-3-5-10(13)20)23-27(24,25)11-6-12(17)26-15(11)18/h3-7H,2H2,1H3,(H,21,22,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.56106 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 450.317 g/mol  logS: -7.957  SlogP: 5.15327  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116762  Sterimol/B1: 2.3559  Sterimol/B2: 3.17467  Sterimol/B3: 5.32441
  Sterimol/B4: 7.38598  Sterimol/L: 15.6934 
 
 Surface and Volume Properties
  Accessible surface: 611.849  Positive charged surface: 223.25  Negative charged surface: 386.722  Volume: 339.875
  Hydrophobic surface: 494.338  Hydrophilic surface: 117.511
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.