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


ENAMINE-ZINC03249313

 MMsINC code: MMs01329702
Type: Neutral
Formula: C12H18N2
SMILES:   n1cccc(C)c1NC1CCCCC1
InChI:   InChI=1/C12H18N2/c1-10-6-5-9-13-12(10)14-11-7-3-2-4-8-11/h5-6,9,11H,2-4,7-8H2,1H3,(H,13,14)

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)=24.5345 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.29 g/mol  logS: -1.86607  SlogP: 3.13462  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0937179  Sterimol/B1: 2.05756  Sterimol/B2: 2.86215  Sterimol/B3: 3.64297
  Sterimol/B4: 6.64964  Sterimol/L: 12.6208 
 
 Surface and Volume Properties
  Accessible surface: 428.351  Positive charged surface: 323.052  Negative charged surface: 105.299  Volume: 209.875
  Hydrophobic surface: 414.354  Hydrophilic surface: 13.997
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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


MMs01329703
ENAMINE-ZINC03249313