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


ASINEX-ZINC03208795

 MMsINC code: MMs00288245
Type: Neutral
Formula: C26H26N2O3
SMILES:   O(C(C)C)c1ccc(cc1)/C(=C\NC(=O)c1ccccc1)/C(=O)NCc1ccccc1
InChI:   InChI=1/C26H26N2O3/c1-19(2)31-23-15-13-21(14-16-23)24(18-28-25(29)22-11-7-4-8-12-22)26(30)27-17-20-9-5-3-6-10-20/h3-16,18-19H,17H2,1-2H3,(H,27,30)(H,28,29)/b24-18-

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)=101.037 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.505 g/mol  logS: -6.22634  SlogP: 4.8275  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0476294  Sterimol/B1: 2.46838  Sterimol/B2: 3.52624  Sterimol/B3: 4.17365
  Sterimol/B4: 10.9469  Sterimol/L: 19.0739 
 
 Surface and Volume Properties
  Accessible surface: 754.235  Positive charged surface: 442.231  Negative charged surface: 312.004  Volume: 418.75
  Hydrophobic surface: 639.81  Hydrophilic surface: 114.425
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs00288246
ASINEX-ZINC03208795