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PUBCHEM-ZINC00700453

 MMsINC code: MMs02730793
Type: Neutral
Formula: C23H21Cl2FN2O3S2
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)Cc1sccc1)C1CC1
InChI:   InChI=1/C23H21Cl2FN2O3S2/c24-17-5-10-21(25)22(12-17)33(30,31)28(19-8-9-19)15-23(29)27(14-20-2-1-11-32-20)13-16-3-6-18(26)7-4-16/h1-7,10-12,19H,8-9,13-15H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.8794 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 527.468 g/mol  logS: -7.02343  SlogP: 6.1089  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0863751  Sterimol/B1: 3.21523  Sterimol/B2: 3.4376  Sterimol/B3: 4.37927
  Sterimol/B4: 9.97458  Sterimol/L: 17.0499 
 
 Surface and Volume Properties
  Accessible surface: 693.127  Positive charged surface: 293.878  Negative charged surface: 399.249  Volume: 442.875
  Hydrophobic surface: 593.984  Hydrophilic surface: 99.143
 
 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: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.