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


NCID-ZINC01682884

 MMsINC code: MMs02316515
Type: Neutral
Formula: C13H24N2
SMILES:   N(CCCN1CC2C(CC=CC2)C1)(C)C
InChI:   InChI=1/C13H24N2/c1-14(2)8-5-9-15-10-12-6-3-4-7-13(12)11-15/h3-4,12-13H,5-11H2,1-2H3/t12-,13-/m1/s1

Download   format file 
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)=37.4955 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.349 g/mol  logS: -0.30809  SlogP: 1.8361  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0676311  Sterimol/B1: 2.49393  Sterimol/B2: 3.68655  Sterimol/B3: 4.10942
  Sterimol/B4: 4.4446  Sterimol/L: 15.2665 
 
 Surface and Volume Properties
  Accessible surface: 468.379  Positive charged surface: 414.54  Negative charged surface: 53.8393  Volume: 240.625
  Hydrophobic surface: 431.223  Hydrophilic surface: 37.156
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02316516
NCID-ZINC01682884