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


ENAMINE-ZINC06850788

 MMsINC code: MMs01705981
Type: Neutral
Formula: C18H16Cl2N4
SMILES:   Clc1ccc(cc1)CNc1nc(ncc1)NCc1ccc(Cl)cc1
InChI:   InChI=1/C18H16Cl2N4/c19-15-5-1-13(2-6-15)11-22-17-9-10-21-18(24-17)23-12-14-3-7-16(20)8-4-14/h1-10H,11-12H2,(H2,21,22,23,24)

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)=18.4867 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.26 g/mol  logS: -5.79804  SlogP: 5.5404  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0547907  Sterimol/B1: 2.42163  Sterimol/B2: 4.55469  Sterimol/B3: 4.81611
  Sterimol/B4: 6.06405  Sterimol/L: 20.3976 
 
 Surface and Volume Properties
  Accessible surface: 631.372  Positive charged surface: 333.604  Negative charged surface: 297.768  Volume: 330.875
  Hydrophobic surface: 545.496  Hydrophilic surface: 85.876
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.