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


PUBCHEM-ZINC02012538

 MMsINC code: MMs02850144
Type: Neutral
Formula: C10H19N5
SMILES:   n1c(nc(nc1N(C)C)NCCCC)C
InChI:   InChI=1/C10H19N5/c1-5-6-7-11-9-12-8(2)13-10(14-9)15(3)4/h5-7H2,1-4H3,(H,11,12,13,14)

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)=-42.2746 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.297 g/mol  logS: -2.41404  SlogP: 1.45802  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0232104  Sterimol/B1: 2.51224  Sterimol/B2: 2.51255  Sterimol/B3: 3.78425
  Sterimol/B4: 5.98602  Sterimol/L: 15.5138 
 
 Surface and Volume Properties
  Accessible surface: 487.054  Positive charged surface: 418.681  Negative charged surface: 68.3729  Volume: 224.625
  Hydrophobic surface: 395.005  Hydrophilic surface: 92.049
 
 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: no related molecules available.