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PUBCHEM-ZINC01926721

 MMsINC code: MMs02830892
Type: Neutral
Formula: C24H25ClN2O4S
SMILES:   Clc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)c(C)c1C
InChI:   InChI=1/C24H25ClN2O4S/c1-17-18(2)23(13-12-22(17)25)31-16-24(28)27-20-8-10-21(11-9-20)32(29,30)26-15-14-19-6-4-3-5-7-19/h3-13,26H,14-16H2,1-2H3,(H,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.2595 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 472.993 g/mol  logS: -6.15427  SlogP: 4.49531  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0253288  Sterimol/B1: 3.10403  Sterimol/B2: 4.44501  Sterimol/B3: 4.45758
  Sterimol/B4: 7.10649  Sterimol/L: 22.9001 
 
 Surface and Volume Properties
  Accessible surface: 775.002  Positive charged surface: 417.752  Negative charged surface: 357.25  Volume: 429.25
  Hydrophobic surface: 643.524  Hydrophilic surface: 131.478
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.