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


ASINEX-ZINC00918134

 MMsINC code: MMs00219703
Type: Neutral
Formula: C26H25N3O6S
SMILES:   S(=O)(=O)(N(CC1=Cc2cc(OC)ccc2NC1=O)Cc1cccnc1)c1ccc(cc1)C(OCC
)=O
InChI:   InChI=1/C26H25N3O6S/c1-3-35-26(31)19-6-9-23(10-7-19)36(32,33)29(16-18-5-4-12-27-15-18)17-21-13-20-14-22(34-2)8-11-24(20)28-25(21)30/h4-15H,3,16-17H2,1-2H3,(H,28,30)

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)=90.4044 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 507.567 g/mol  logS: -5.20176  SlogP: 3.7599  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.157154  Sterimol/B1: 2.1626  Sterimol/B2: 6.73853  Sterimol/B3: 7.59643
  Sterimol/B4: 7.95024  Sterimol/L: 17.5032 
 
 Surface and Volume Properties
  Accessible surface: 764.485  Positive charged surface: 501.952  Negative charged surface: 262.533  Volume: 456.75
  Hydrophobic surface: 581.04  Hydrophilic surface: 183.445
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.