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


NCID-ZINC01732164

 MMsINC code: MMs02354914
Type: Neutral
Formula: C9H9Cl2N3O2
SMILES:   Clc1cc(Cl)ccc1OCC(=O)NC(N)=N
InChI:   InChI=1/C9H9Cl2N3O2/c10-5-1-2-7(6(11)3-5)16-4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)

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)=12.2068 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.096 g/mol  logS: -3.61169  SlogP: 1.38187  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00628826  Sterimol/B1: 2.36497  Sterimol/B2: 2.38194  Sterimol/B3: 3.67094
  Sterimol/B4: 5.22349  Sterimol/L: 15.3258 
 
 Surface and Volume Properties
  Accessible surface: 455.573  Positive charged surface: 215.428  Negative charged surface: 240.145  Volume: 210.75
  Hydrophobic surface: 279.619  Hydrophilic surface: 175.954
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02354915
NCID-ZINC01732164