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PUBCHEM-ZINC06352521

 MMsINC code: MMs03682086
Type: Neutral
Formula: C19H15ClFNO2S2
SMILES:   Clc1cc(F)ccc1S(=O)(=O)Nc1ccc(cc1)CSc1ccccc1
InChI:   InChI=1/C19H15ClFNO2S2/c20-18-12-15(21)8-11-19(18)26(23,24)22-16-9-6-14(7-10-16)13-25-17-4-2-1-3-5-17/h1-12,22H,13H2

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Potential Energy
Epot(MMFF94)=54.5184 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.917 g/mol  logS: -6.86529  SlogP: 5.8386  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.065675  Sterimol/B1: 3.94608  Sterimol/B2: 4.06394  Sterimol/B3: 4.4034
  Sterimol/B4: 5.35023  Sterimol/L: 17.1028 
 
 Surface and Volume Properties
  Accessible surface: 622.279  Positive charged surface: 276.24  Negative charged surface: 346.039  Volume: 345
  Hydrophobic surface: 514.081  Hydrophilic surface: 108.198
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1
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Ions/Tautomers related molecules: no related molecules available.