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PUBCHEM-ZINC00700431

 MMsINC code: MMs02730780
Type: Neutral
Formula: C23H22ClFN2O3S2
SMILES:   Clc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)Cc2sccc2)C2CC2)cc1
InChI:   InChI=1/C23H22ClFN2O3S2/c24-18-5-11-22(12-6-18)32(29,30)27(20-9-10-20)16-23(28)26(15-21-2-1-13-31-21)14-17-3-7-19(25)8-4-17/h1-8,11-13,20H,9-10,14-16H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.1536 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 493.023 g/mol  logS: -6.28914  SlogP: 5.4555  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.441722  Sterimol/B1: 2.99514  Sterimol/B2: 5.16943  Sterimol/B3: 7.43887
  Sterimol/B4: 10.2432  Sterimol/L: 13.9306 
 
 Surface and Volume Properties
  Accessible surface: 691.127  Positive charged surface: 313.979  Negative charged surface: 377.148  Volume: 432.375
  Hydrophobic surface: 590.231  Hydrophilic surface: 100.896
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 0
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Ions/Tautomers related molecules: no related molecules available.