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


NCID-ZINC04353484

 MMsINC code: MMs02383825
Type: Neutral
Formula: C10H15N5
SMILES:   [nH]1ncc2c1ncnc2NCCCCC
InChI:   InChI=1/C10H15N5/c1-2-3-4-5-11-9-8-6-14-15-10(8)13-7-12-9/h6-7H,2-5H2,1H3,(H2,11,12,13,14,15)

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)=21.1284 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.265 g/mol  logS: -3.0021  SlogP: 1.955  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0193779  Sterimol/B1: 2.37548  Sterimol/B2: 2.3763  Sterimol/B3: 4.31613
  Sterimol/B4: 4.6048  Sterimol/L: 15.4634 
 
 Surface and Volume Properties
  Accessible surface: 440.799  Positive charged surface: 348.952  Negative charged surface: 85.7599  Volume: 207.625
  Hydrophobic surface: 276.48  Hydrophilic surface: 164.319
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.