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


ASINEX-ZINC02099657

 MMsINC code: MMs00263801
Type: Neutral
Formula: C23H24N2O5
SMILES:   OC=1c2c(N(CCCCC)C(=O)C=1C(=O)Nc1ccccc1C(OC)=O)cccc2
InChI:   InChI=1/C23H24N2O5/c1-3-4-9-14-25-18-13-8-6-11-16(18)20(26)19(22(25)28)21(27)24-17-12-7-5-10-15(17)23(29)30-2/h5-8,10-13,26H,3-4,9,14H2,1-2H3,(H,24,27)

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)=102.062 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.454 g/mol  logS: -5.73045  SlogP: 3.9178  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143032  Sterimol/B1: 2.40308  Sterimol/B2: 4.70131  Sterimol/B3: 6.069
  Sterimol/B4: 10.1997  Sterimol/L: 17.7961 
 
 Surface and Volume Properties
  Accessible surface: 701.187  Positive charged surface: 458.345  Negative charged surface: 242.843  Volume: 387.875
  Hydrophobic surface: 564.537  Hydrophilic surface: 136.65
 
 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.