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


ASINEX-ZINC02294895

 MMsINC code: MMs00268031
Type: Neutral
Formula: C24H26N2O5
SMILES:   OC=1c2c(N(C)C(=O)C=1C(=O)Nc1ccccc1C(OCCCCCC)=O)cccc2
InChI:   InChI=1/C24H26N2O5/c1-3-4-5-10-15-31-24(30)16-11-6-8-13-18(16)25-22(28)20-21(27)17-12-7-9-14-19(17)26(2)23(20)29/h6-9,11-14,27H,3-5,10,15H2,1-2H3,(H,25,28)

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)=99.8979 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.481 g/mol  logS: -6.24567  SlogP: 4.3079  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0577768  Sterimol/B1: 3.12037  Sterimol/B2: 4.28369  Sterimol/B3: 4.73756
  Sterimol/B4: 10.0683  Sterimol/L: 19.8885 
 
 Surface and Volume Properties
  Accessible surface: 736.551  Positive charged surface: 488.901  Negative charged surface: 247.65  Volume: 406.5
  Hydrophobic surface: 596.9  Hydrophilic surface: 139.651
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.