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


NCID-ZINC01614729

 MMsINC code: MMs02264532
Type: Neutral
Formula: C11H16N2
SMILES:   NCCN1CCc2c(C1)cccc2
InChI:   InChI=1/C11H16N2/c12-6-8-13-7-5-10-3-1-2-4-11(10)9-13/h1-4H,5-9,12H2

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)=41.6609 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 176.263 g/mol  logS: -1.13156  SlogP: 1.26977  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0588077  Sterimol/B1: 2.74057  Sterimol/B2: 3.30692  Sterimol/B3: 3.70136
  Sterimol/B4: 4.6521  Sterimol/L: 12.9924 
 
 Surface and Volume Properties
  Accessible surface: 403.655  Positive charged surface: 298.512  Negative charged surface: 105.143  Volume: 192.625
  Hydrophobic surface: 331.371  Hydrophilic surface: 72.284
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02264534
NCID-ZINC01614729


MMs02264533
NCID-ZINC01614729