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PUBCHEM-ZINC03004388

 MMsINC code: MMs02978400
Type: Neutral
Formula: C25H27ClN2O4S
SMILES:   Clc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCc2ccc(OC)cc2)cc1
InChI:   InChI=1/C25H27ClN2O4S/c1-32-23-11-7-21(8-12-23)15-17-27-25(29)19-28(18-16-20-5-3-2-4-6-20)33(30,31)24-13-9-22(26)10-14-24/h2-14H,15-19H2,1H3,(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.991 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 487.02 g/mol  logS: -5.91442  SlogP: 3.94084  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108203  Sterimol/B1: 3.29809  Sterimol/B2: 4.81953  Sterimol/B3: 6.42445
  Sterimol/B4: 9.11265  Sterimol/L: 20.1101 
 
 Surface and Volume Properties
  Accessible surface: 794.228  Positive charged surface: 452.114  Negative charged surface: 342.114  Volume: 452.125
  Hydrophobic surface: 703.017  Hydrophilic surface: 91.211
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.