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PUBCHEM-ZINC03022747

 MMsINC code: MMs02981519
Type: Neutral
Formula: C20H17ClFNO4S2
SMILES:   Clc1ccc(S(=O)(=O)c2cc(cc(S(=O)(=O)Nc3ccc(F)cc3)c2C)C)cc1
InChI:   InChI=1/C20H17ClFNO4S2/c1-13-11-19(28(24,25)18-9-3-15(21)4-10-18)14(2)20(12-13)29(26,27)23-17-7-5-16(22)6-8-17/h3-12,23H,1-2H3

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Potential Energy
Epot(MMFF94)=94.2695 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 453.942 g/mol  logS: -6.67493  SlogP: 4.72954  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144773  Sterimol/B1: 2.13295  Sterimol/B2: 4.35654  Sterimol/B3: 4.6559
  Sterimol/B4: 8.43083  Sterimol/L: 16.9957 
 
 Surface and Volume Properties
  Accessible surface: 629.797  Positive charged surface: 258.603  Negative charged surface: 371.193  Volume: 369.625
  Hydrophobic surface: 504.607  Hydrophilic surface: 125.19
 
 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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.