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


ASINEX-ZINC00096207

 MMsINC code: MMs00074116
Type: Neutral
Formula: C15H10Cl2N4O
SMILES:   Clc1ccc(Nc2nc(Oc3ccccc3)nc(Cl)n2)cc1
InChI:   InChI=1/C15H10Cl2N4O/c16-10-6-8-11(9-7-10)18-14-19-13(17)20-15(21-14)22-12-4-2-1-3-5-12/h1-9H,(H,18,19,20,21)

Download   format file 
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)=15.7147 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.178 g/mol  logS: -7.12703  SlogP: 4.7143  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0391745  Sterimol/B1: 3.64723  Sterimol/B2: 3.66643  Sterimol/B3: 3.79975
  Sterimol/B4: 4.42676  Sterimol/L: 17.6815 
 
 Surface and Volume Properties
  Accessible surface: 559.356  Positive charged surface: 244.389  Negative charged surface: 314.967  Volume: 283.75
  Hydrophobic surface: 483.111  Hydrophilic surface: 76.245
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.