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


FRINTON-ZINC01725834

 MMsINC code: MMs01727937
Type: Neutral
Formula: C7H16N4O2
SMILES:   O=C(NN)CCCCCC(=O)NN
InChI:   InChI=1/C7H16N4O2/c8-10-6(12)4-2-1-3-5-7(13)11-9/h1-5,8-9H2,(H,10,12)(H,11,13)

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)=61.6086 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.231 g/mol  logS: -0.79012  SlogP: -1.0833  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.020154  Sterimol/B1: 2.11455  Sterimol/B2: 2.42874  Sterimol/B3: 2.42982
  Sterimol/B4: 3.82425  Sterimol/L: 16.4255 
 
 Surface and Volume Properties
  Accessible surface: 426.373  Positive charged surface: 317.465  Negative charged surface: 108.908  Volume: 182.5
  Hydrophobic surface: 158.676  Hydrophilic surface: 267.697
 
 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.