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


PUBCHEM-ZINC05278007

MMsINC code: MMs03230852

Type: Neutral
Formula: C15H15Cl2N3O
SMILES:   Clc1ccccc1CN(\C(=N/O)\N)Cc1ccccc1Cl
InChI:   InChI=1/C15H15Cl2N3O/c16-13-7-3-1-5-11(13)9-20(15(18)19-21)10-12-6-2-4-8-14(12)17/h1-8,21H,9-10H2,(H2,18,19)

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)=65.1324 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.211 g/mol  logS: -4.42393  SlogP: 4.2323  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104988  Sterimol/B1: 2.69798  Sterimol/B2: 2.90101  Sterimol/B3: 4.10101
  Sterimol/B4: 7.64282  Sterimol/L: 14.2911 
 
 Surface and Volume Properties
  Accessible surface: 505.157  Positive charged surface: 260.192  Negative charged surface: 244.965  Volume: 285.25
  Hydrophobic surface: 391.202  Hydrophilic surface: 113.955
 
 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: 0  Oprea's lead like rule: 1

  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.