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


ENAMINE-ZINC03319661

 MMsINC code: MMs01369418
Type: Neutral
Formula: C7H10N4O
SMILES:   O=C(NN)c1cc(NN)ccc1
InChI:   InChI=1/C7H10N4O/c8-10-6-3-1-2-5(4-6)7(12)11-9/h1-4,10H,8-9H2,(H,11,12)

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)=78.1394 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.184 g/mol  logS: -1.31774  SlogP: -0.4243  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00592593  Sterimol/B1: 2.097  Sterimol/B2: 2.15463  Sterimol/B3: 2.56157
  Sterimol/B4: 5.60172  Sterimol/L: 12.5556 
 
 Surface and Volume Properties
  Accessible surface: 353.976  Positive charged surface: 220.007  Negative charged surface: 133.969  Volume: 154.875
  Hydrophobic surface: 136.781  Hydrophilic surface: 217.195
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.