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IFLAB-ZINC02711817

 MMsINC code: MMs01998866
Type: Neutral
Formula: C16H14ClFN2O2S2
SMILES:   Clc1cc(ccc1)CSC1=NCCN1S(=O)(=O)c1ccc(F)cc1
InChI:   InChI=1/C16H14ClFN2O2S2/c17-13-3-1-2-12(10-13)11-23-16-19-8-9-20(16)24(21,22)15-6-4-14(18)5-7-15/h1-7,10H,8-9,11H2

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Potential Energy
Epot(MMFF94)=30.8686 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.883 g/mol  logS: -5.79269  SlogP: 4.0392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0896815  Sterimol/B1: 3.17517  Sterimol/B2: 4.69067  Sterimol/B3: 5.56009
  Sterimol/B4: 5.93779  Sterimol/L: 15.2873 
 
 Surface and Volume Properties
  Accessible surface: 587.175  Positive charged surface: 290.058  Negative charged surface: 297.117  Volume: 316.375
  Hydrophobic surface: 502.774  Hydrophilic surface: 84.401
 
 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.