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ASINEX-ZINC00933147

 MMsINC code: MMs00225730
Type: Neutral
Formula: C24H27FN2O4S2
SMILES:   S(=O)(=O)(N(Cc1ccccc1F)Cc1ccccc1)c1ccc(S(=O)(=O)NC(CC)C)cc1
InChI:   InChI=1/C24H27FN2O4S2/c1-3-19(2)26-32(28,29)22-13-15-23(16-14-22)33(30,31)27(17-20-9-5-4-6-10-20)18-21-11-7-8-12-24(21)25/h4-16,19,26H,3,17-18H2,1-2H3/t19-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.2982 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 490.62 g/mol  logS: -5.82339  SlogP: 4.8264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0904163  Sterimol/B1: 3.1234  Sterimol/B2: 4.71385  Sterimol/B3: 5.67033
  Sterimol/B4: 8.60812  Sterimol/L: 17.726 
 
 Surface and Volume Properties
  Accessible surface: 703.002  Positive charged surface: 387.266  Negative charged surface: 315.735  Volume: 441
  Hydrophobic surface: 529.469  Hydrophilic surface: 173.533
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.