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


CHEMBRIDGE-ZINC04700256

 MMsINC code: MMs00777804
Type: Neutral
Formula: C14H22N2
SMILES:   N1(CCCN(CC1)C)Cc1ccc(cc1)C
InChI:   InChI=1/C14H22N2/c1-13-4-6-14(7-5-13)12-16-9-3-8-15(2)10-11-16/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)=70.5838 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.344 g/mol  logS: -1.97875  SlogP: 2.39892  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127615  Sterimol/B1: 3.4829  Sterimol/B2: 3.67017  Sterimol/B3: 3.86796
  Sterimol/B4: 5.38856  Sterimol/L: 13.2135 
 
 Surface and Volume Properties
  Accessible surface: 465.844  Positive charged surface: 371.042  Negative charged surface: 94.8022  Volume: 245.125
  Hydrophobic surface: 458.026  Hydrophilic surface: 7.818
 
 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


MMs00777805
CHEMBRIDGE-ZINC04700256