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


NCID-ZINC01682901

 MMsINC code: MMs02316538
Type: Neutral
Formula: C15H28N2
SMILES:   N(CCCN1CC2C(CC=CC2)C1)(CC)CC
InChI:   InChI=1/C15H28N2/c1-3-16(4-2)10-7-11-17-12-14-8-5-6-9-15(14)13-17/h5-6,14-15H,3-4,7-13H2,1-2H3/t14-,15-/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)=37.0118 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.403 g/mol  logS: -0.96251  SlogP: 2.6163  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0407498  Sterimol/B1: 2.52804  Sterimol/B2: 2.71608  Sterimol/B3: 3.33808
  Sterimol/B4: 6.32428  Sterimol/L: 15.7434 
 
 Surface and Volume Properties
  Accessible surface: 525.254  Positive charged surface: 427.353  Negative charged surface: 97.9012  Volume: 274.875
  Hydrophobic surface: 446.15  Hydrophilic surface: 79.104
 
 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


MMs02316539
NCID-ZINC01682901