logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


NCID-ZINC05008999

 MMsINC code: MMs02427353
Type: Neutral
Formula: C26H23NO3S
SMILES:   S(=O)(=O)(Nc1ccccc1)c1ccc(cc1C(O)(c1ccccc1)c1ccccc1)C
InChI:   InChI=1/C26H23NO3S/c1-20-17-18-25(31(29,30)27-23-15-9-4-10-16-23)24(19-20)26(28,21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2-19,27-28H,1H3

Download   format file 
Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=162.467 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 429.54 g/mol  logS: -6.82746  SlogP: 5.39152  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.237328  Sterimol/B1: 2.22955  Sterimol/B2: 2.82662  Sterimol/B3: 6.84638
  Sterimol/B4: 10.601  Sterimol/L: 16.1071 
 
 Surface and Volume Properties
  Accessible surface: 649.25  Positive charged surface: 372.801  Negative charged surface: 276.449  Volume: 401.25
  Hydrophobic surface: 589.69  Hydrophilic surface: 59.56
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.