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ASINEX-ZINC00922852

 MMsINC code: MMs00222034
Type: Neutral
Formula: C24H26FN3O4S2
SMILES:   S(=O)(=O)(N1CCN(CC1)c1ccc(F)cc1)c1ccc(S(=O)(=O)N(Cc2ccccc2)C
)cc1
InChI:   InChI=1/C24H26FN3O4S2/c1-26(19-20-5-3-2-4-6-20)33(29,30)23-11-13-24(14-12-23)34(31,32)28-17-15-27(16-18-28)22-9-7-21(25)8-10-22/h2-14H,15-19H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=139.338 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 503.619 g/mol  logS: -5.14547  SlogP: 3.4237  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0260565  Sterimol/B1: 2.10901  Sterimol/B2: 3.85032  Sterimol/B3: 4.85474
  Sterimol/B4: 6.984  Sterimol/L: 24.0672 
 
 Surface and Volume Properties
  Accessible surface: 749.868  Positive charged surface: 426.384  Negative charged surface: 323.484  Volume: 443.5
  Hydrophobic surface: 633.482  Hydrophilic surface: 116.386
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.