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


NANOSIN-ZINC04422512

 MMsINC code: MMs02206751
Type: Neutral
Formula: C26H26O6S3
SMILES:   S(=O)(=O)(C(/C(/S(=O)(=O)c1ccccc1)=C/CS(=O)(=O)c1ccc(cc1)C)=
C(C)C)c1ccccc1
InChI:   InChI=1/C26H26O6S3/c1-20(2)26(35(31,32)24-12-8-5-9-13-24)25(34(29,30)23-10-6-4-7-11-23)18-19-33(27,28)22-16-14-21(3)15-17-22/h4-18H,19H2,1-3H3/b25-18-

Download   format file 
Drug Similarity  |  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)=179.495 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 530.686 g/mol  logS: -7.0366  SlogP: 4.89432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108662  Sterimol/B1: 4.10815  Sterimol/B2: 4.52043  Sterimol/B3: 5.57942
  Sterimol/B4: 8.87994  Sterimol/L: 16.5724 
 
 Surface and Volume Properties
  Accessible surface: 729.194  Positive charged surface: 372.534  Negative charged surface: 356.66  Volume: 465.375
  Hydrophobic surface: 615.292  Hydrophilic surface: 113.902
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.