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ENAMINE-ZINC03314538

 MMsINC code: MMs01366056
Type: Neutral
Formula: C17H18ClF3N2O4S2
SMILES:   Clc1ccc(cc1S(=O)(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1)C(F)(F)F
InChI:   InChI=1/C17H18ClF3N2O4S2/c1-3-23(4-2)29(26,27)14-8-6-13(7-9-14)22-28(24,25)16-11-12(17(19,20)21)5-10-15(16)18/h5-11,22H,3-4H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.6774 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 470.92 g/mol  logS: -5.40554  SlogP: 4.5016  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147604  Sterimol/B1: 2.48488  Sterimol/B2: 4.14013  Sterimol/B3: 6.14373
  Sterimol/B4: 6.33883  Sterimol/L: 15.4493 
 
 Surface and Volume Properties
  Accessible surface: 626.752  Positive charged surface: 268.787  Negative charged surface: 357.964  Volume: 366.625
  Hydrophobic surface: 360.221  Hydrophilic surface: 266.531
 
 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.