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


ASINEX-ZINC02518418

 MMsINC code: MMs00274255
Type: Neutral
Formula: C10H17N3
SMILES:   n1ccccc1CNCCN(C)C
InChI:   InChI=1/C10H17N3/c1-13(2)8-7-11-9-10-5-3-4-6-12-10/h3-6,11H,7-9H2,1-2H3

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)=43.7427 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 179.267 g/mol  logS: 0.08195  SlogP: 0.9992  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0590578  Sterimol/B1: 2.27874  Sterimol/B2: 3.1307  Sterimol/B3: 3.39729
  Sterimol/B4: 4.8858  Sterimol/L: 14.5467 
 
 Surface and Volume Properties
  Accessible surface: 435.828  Positive charged surface: 362.438  Negative charged surface: 73.3894  Volume: 200.25
  Hydrophobic surface: 399.938  Hydrophilic surface: 35.89
 
 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


MMs00274256
ASINEX-ZINC02518418


MMs00274257
ASINEX-ZINC02518418