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PUBCHEM-ZINC02179173

 MMsINC code: MMs02881831
Type: Neutral
Formula: C24H25ClN2O4S
SMILES:   Clc1ccc(S(=O)(=O)N(CC(=O)NC(C)c2ccccc2)c2ccccc2OCC)cc1
InChI:   InChI=1/C24H25ClN2O4S/c1-3-31-23-12-8-7-11-22(23)27(32(29,30)21-15-13-20(25)14-16-21)17-24(28)26-18(2)19-9-5-4-6-10-19/h4-16,18H,3,17H2,1-2H3,(H,26,28)/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.938 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 472.993 g/mol  logS: -6.50186  SlogP: 4.9069  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155361  Sterimol/B1: 2.33017  Sterimol/B2: 2.50086  Sterimol/B3: 7.21542
  Sterimol/B4: 10.1294  Sterimol/L: 18.0789 
 
 Surface and Volume Properties
  Accessible surface: 733.518  Positive charged surface: 388.013  Negative charged surface: 345.505  Volume: 434.5
  Hydrophobic surface: 633.838  Hydrophilic surface: 99.68
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.