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PUBCHEM-ZINC06189794

 MMsINC code: MMs03590310
Type: Neutral
Formula: C18H13ClF2N2O2S3
SMILES:   Clc1ccccc1/C(=N\S(=O)(=O)c1sccc1)/Nc1ccc(SC(F)F)cc1
InChI:   InChI=1/C18H13ClF2N2O2S3/c19-15-5-2-1-4-14(15)17(23-28(24,25)16-6-3-11-26-16)22-12-7-9-13(10-8-12)27-18(20)21/h1-11,18H,(H,22,23)

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Potential Energy
Epot(MMFF94)=135.595 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 458.961 g/mol  logS: -7.30116  SlogP: 6.3837  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125738  Sterimol/B1: 3.1022  Sterimol/B2: 3.51378  Sterimol/B3: 5.27605
  Sterimol/B4: 7.16245  Sterimol/L: 17.4894 
 
 Surface and Volume Properties
  Accessible surface: 631.738  Positive charged surface: 238.28  Negative charged surface: 393.458  Volume: 356.75
  Hydrophobic surface: 455.715  Hydrophilic surface: 176.023
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.