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


CHEMBLOCK-ZINC06668078

 MMsINC code: MMs00582240
Type: Neutral
Formula: C16H10Cl2N6O
SMILES:   Clc1cccc(Cl)c1Cn1nnc2c1NC(=NC2=O)c1ccncc1
InChI:   InChI=1/C16H10Cl2N6O/c17-11-2-1-3-12(18)10(11)8-24-15-13(22-23-24)16(25)21-14(20-15)9-4-6-19-7-5-9/h1-7H,8H2,(H,20,21,25)

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)=88.6774 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.203 g/mol  logS: -4.25218  SlogP: 3.3071  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0812154  Sterimol/B1: 2.18286  Sterimol/B2: 2.86544  Sterimol/B3: 4.97214
  Sterimol/B4: 7.6311  Sterimol/L: 15.2603 
 
 Surface and Volume Properties
  Accessible surface: 536.758  Positive charged surface: 261.658  Negative charged surface: 275.1  Volume: 306
  Hydrophobic surface: 395.649  Hydrophilic surface: 141.109
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.