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


ASINEX-ZINC00855979

 MMsINC code: MMs00195019
Type: Neutral
Formula: C23H20N2O5
SMILES:   O(CC(=O)Nc1ccc(NC(=O)c2ccccc2C(O)=O)cc1)c1ccccc1C
InChI:   InChI=1/C23H20N2O5/c1-15-6-2-5-9-20(15)30-14-21(26)24-16-10-12-17(13-11-16)25-22(27)18-7-3-4-8-19(18)23(28)29/h2-13H,14H2,1H3,(H,24,26)(H,25,27)(H,28,29)

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)=134.656 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.422 g/mol  logS: -5.53155  SlogP: 3.96302  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0239816  Sterimol/B1: 2.24092  Sterimol/B2: 2.99066  Sterimol/B3: 3.95088
  Sterimol/B4: 6.63176  Sterimol/L: 22.6657 
 
 Surface and Volume Properties
  Accessible surface: 698.118  Positive charged surface: 413.258  Negative charged surface: 284.861  Volume: 378.125
  Hydrophobic surface: 539.858  Hydrophilic surface: 158.26
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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


MMs00195020
ASINEX-ZINC00855979