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


ASINEX-ZINC00922877

 MMsINC code: MMs00222042
Type: Neutral
Formula: C26H31N3O4S2
SMILES:   S(=O)(=O)(N1CCN(CC1)c1cccc(C)c1C)c1ccc(S(=O)(=O)N(Cc2ccccc2)
C)cc1
InChI:   InChI=1/C26H31N3O4S2/c1-21-8-7-11-26(22(21)2)28-16-18-29(19-17-28)35(32,33)25-14-12-24(13-15-25)34(30,31)27(3)20-23-9-5-4-6-10-23/h4-15H,16-20H2,1-3H3

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)=145.672 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 513.683 g/mol  logS: -5.48488  SlogP: 3.90144  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0524079  Sterimol/B1: 3.18873  Sterimol/B2: 3.88686  Sterimol/B3: 4.3103
  Sterimol/B4: 8.93338  Sterimol/L: 21.4599 
 
 Surface and Volume Properties
  Accessible surface: 776.253  Positive charged surface: 468.023  Negative charged surface: 308.23  Volume: 475.375
  Hydrophobic surface: 656.988  Hydrophilic surface: 119.265
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.