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PUBCHEM-ZINC01050596

 MMsINC code: MMs02761094
Type: Neutral
Formula: C24H25ClN2O4S
SMILES:   Clc1cc(S(=O)(=O)NC(C)c2ccccc2)ccc1OCC(=O)NCc1ccc(cc1)C
InChI:   InChI=1/C24H25ClN2O4S/c1-17-8-10-19(11-9-17)15-26-24(28)16-31-23-13-12-21(14-22(23)25)32(29,30)27-18(2)20-6-4-3-5-7-20/h3-14,18,27H,15-16H2,1-2H3,(H,26,28)/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.6818 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 472.993 g/mol  logS: -6.51703  SlogP: 4.74502  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0405715  Sterimol/B1: 2.86683  Sterimol/B2: 4.49735  Sterimol/B3: 4.58635
  Sterimol/B4: 7.65003  Sterimol/L: 24.0513 
 
 Surface and Volume Properties
  Accessible surface: 784.561  Positive charged surface: 406.229  Negative charged surface: 378.332  Volume: 430.75
  Hydrophobic surface: 633.714  Hydrophilic surface: 150.847
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.