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


NCID-ZINC05641033

 MMsINC code: MMs02482064
Type: Neutral
Formula: C25H26ClN3O5
SMILES:   Clc1ccccc1-c1noc(C)c1C(O\N=C(\C)/c1cc(CN2CCOCC2)c(OC)cc1)=O
InChI:   InChI=1/C25H26ClN3O5/c1-16(18-8-9-22(31-3)19(14-18)15-29-10-12-32-13-11-29)27-34-25(30)23-17(2)33-28-24(23)20-6-4-5-7-21(20)26/h4-9,14H,10-13,15H2,1-3H3/b27-16-

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)=185.378 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 483.952 g/mol  logS: -6.2909  SlogP: 4.99162  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165095  Sterimol/B1: 2.25053  Sterimol/B2: 5.22994  Sterimol/B3: 6.24218
  Sterimol/B4: 10.1782  Sterimol/L: 19.0974 
 
 Surface and Volume Properties
  Accessible surface: 766.657  Positive charged surface: 478.378  Negative charged surface: 288.278  Volume: 446.125
  Hydrophobic surface: 682.412  Hydrophilic surface: 84.245
 
 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: 0  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02482065
NCID-ZINC05641033