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


CHEMBRIDGE-ZINC04990283

 MMsINC code: MMs00822676
Type: Neutral
Formula: C14H22N2
SMILES:   N1(CCN(CC1)CC)Cc1ccccc1C
InChI:   InChI=1/C14H22N2/c1-3-15-8-10-16(11-9-15)12-14-7-5-4-6-13(14)2/h4-7H,3,8-12H2,1-2H3

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)=65.4559 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.344 g/mol  logS: -2.10419  SlogP: 2.39892  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128371  Sterimol/B1: 3.04434  Sterimol/B2: 3.11488  Sterimol/B3: 4.22657
  Sterimol/B4: 5.51126  Sterimol/L: 13.6505 
 
 Surface and Volume Properties
  Accessible surface: 462.467  Positive charged surface: 351.05  Negative charged surface: 111.417  Volume: 245.25
  Hydrophobic surface: 432.529  Hydrophilic surface: 29.938
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs00822677
CHEMBRIDGE-ZINC04990283