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ENAMINE-ZINC03225408

 MMsINC code: MMs01315751
Type: Neutral
Formula: C23H20Cl2N2O3S2
SMILES:   Clc1ccc(cc1S(=O)(=O)N1CCCC1)C(=O)Nc1ccccc1Sc1ccc(Cl)cc1
InChI:   InChI=1/C23H20Cl2N2O3S2/c24-17-8-10-18(11-9-17)31-21-6-2-1-5-20(21)26-23(28)16-7-12-19(25)22(15-16)32(29,30)27-13-3-4-14-27/h1-2,5-12,15H,3-4,13-14H2,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.1977 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 507.462 g/mol  logS: -8.13465  SlogP: 6.1814  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0717179  Sterimol/B1: 2.48412  Sterimol/B2: 2.97867  Sterimol/B3: 5.8827
  Sterimol/B4: 8.43992  Sterimol/L: 20.9351 
 
 Surface and Volume Properties
  Accessible surface: 742.594  Positive charged surface: 359.376  Negative charged surface: 383.218  Volume: 427.75
  Hydrophobic surface: 629.795  Hydrophilic surface: 112.799
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.