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IFLAB-ZINC02711718

 MMsINC code: MMs01998832
Type: Neutral
Formula: C16H13Cl2FN2O2S2
SMILES:   Clc1cc(ccc1Cl)CSC1=NCCN1S(=O)(=O)c1ccc(F)cc1
InChI:   InChI=1/C16H13Cl2FN2O2S2/c17-14-6-1-11(9-15(14)18)10-24-16-20-7-8-21(16)25(22,23)13-4-2-12(19)3-5-13/h1-6,9H,7-8,10H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.8387 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.328 g/mol  logS: -6.52698  SlogP: 4.6926  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0889976  Sterimol/B1: 2.60558  Sterimol/B2: 3.52754  Sterimol/B3: 4.28518
  Sterimol/B4: 8.87362  Sterimol/L: 16.4024 
 
 Surface and Volume Properties
  Accessible surface: 613.055  Positive charged surface: 277.35  Negative charged surface: 335.705  Volume: 333
  Hydrophobic surface: 529.43  Hydrophilic surface: 83.625
 
 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.