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ASINEX-ZINC00891767

 MMsINC code: MMs00209839
Type: Neutral
Formula: C24H22ClN3O3S
SMILES:   Clc1ccccc1S(=O)(=O)N(CC1=Cc2c(NC1=O)cc(cc2C)C)Cc1cccnc1
InChI:   InChI=1/C24H22ClN3O3S/c1-16-10-17(2)20-12-19(24(29)27-22(20)11-16)15-28(14-18-6-5-9-26-13-18)32(30,31)23-8-4-3-7-21(23)25/h3-13H,14-15H2,1-2H3,(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.6033 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 467.977 g/mol  logS: -6.12457  SlogP: 4.84484  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138846  Sterimol/B1: 2.65238  Sterimol/B2: 4.84002  Sterimol/B3: 6.0702
  Sterimol/B4: 7.19227  Sterimol/L: 17.1978 
 
 Surface and Volume Properties
  Accessible surface: 657.922  Positive charged surface: 392.565  Negative charged surface: 265.356  Volume: 414.75
  Hydrophobic surface: 540.451  Hydrophilic surface: 117.471
 
 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.