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


PUBCHEM-ZINC02548129

 MMsINC code: MMs02899058
Type: Neutral
Formula: C14H20N4
SMILES:   n1cnc2c(cccc2)c1NCCCCN(C)C
InChI:   InChI=1/C14H20N4/c1-18(2)10-6-5-9-15-14-12-7-3-4-8-13(12)16-11-17-14/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,15,16,17)

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)=38.9501 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.342 g/mol  logS: -2.54357  SlogP: 2.3835  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0220769  Sterimol/B1: 2.38054  Sterimol/B2: 3.74562  Sterimol/B3: 4.269
  Sterimol/B4: 5.49454  Sterimol/L: 17.0804 
 
 Surface and Volume Properties
  Accessible surface: 520.107  Positive charged surface: 409.382  Negative charged surface: 104.508  Volume: 259.875
  Hydrophobic surface: 432.995  Hydrophilic surface: 87.112
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs02899059
PUBCHEM-ZINC02548129