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


ASINEX-ZINC00257554

 MMsINC code: MMs00101016
Type: Neutral
Formula: C14H25N3
SMILES:   n1(cccc1CN1CCN(CC1)C(CC)C)C
InChI:   InChI=1/C14H25N3/c1-4-13(2)17-10-8-16(9-11-17)12-14-6-5-7-15(14)3/h5-7,13H,4,8-12H2,1-3H3/t13-/m1/s1

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)=65.3064 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.375 g/mol  logS: -0.6494  SlogP: 2.5668  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143432  Sterimol/B1: 2.69132  Sterimol/B2: 3.05294  Sterimol/B3: 4.38816
  Sterimol/B4: 5.48754  Sterimol/L: 13.9067 
 
 Surface and Volume Properties
  Accessible surface: 487.307  Positive charged surface: 371.699  Negative charged surface: 115.608  Volume: 262.125
  Hydrophobic surface: 412.714  Hydrophilic surface: 74.593
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00101017
ASINEX-ZINC00257554