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PUBCHEM-ZINC01057648

 MMsINC code: MMs02762123
Type: Neutral
Formula: C22H26Cl2N2O4S
SMILES:   Clc1cc(Cl)ccc1CNC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1C
InChI:   InChI=1/C22H26Cl2N2O4S/c1-15-11-19(31(28,29)26-18-5-3-2-4-6-18)9-10-21(15)30-14-22(27)25-13-16-7-8-17(23)12-20(16)24/h7-12,18,26H,2-6,13-14H2,1H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.1904 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 485.432 g/mol  logS: -6.3139  SlogP: 4.87442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0605688  Sterimol/B1: 2.30521  Sterimol/B2: 3.0169  Sterimol/B3: 5.61329
  Sterimol/B4: 9.89111  Sterimol/L: 19.9114 
 
 Surface and Volume Properties
  Accessible surface: 762.218  Positive charged surface: 415.946  Negative charged surface: 346.272  Volume: 427.875
  Hydrophobic surface: 631.76  Hydrophilic surface: 130.458
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.