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


ACROSORGANICS-ZINC04899414

 MMsINC code: MMs00018629
Type: Neutral
Formula: C2H6N2O
SMILES:   O=C(N)CN
InChI:   InChI=1/C2H6N2O/c3-1-2(4)5/h1,3H2,(H2,4,5)

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)=17.1344 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 74.083 g/mol  logS: 0.43954  SlogP: -1.5696  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0669392  Sterimol/B1: 2.22029  Sterimol/B2: 2.28702  Sterimol/B3: 2.4469
  Sterimol/B4: 3.8559  Sterimol/L: 7.86516 
 
 Surface and Volume Properties
  Accessible surface: 228.008  Positive charged surface: 173.023  Negative charged surface: 54.9857  Volume: 71
  Hydrophobic surface: 49.1193  Hydrophilic surface: 178.8887
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs00018630
ACROSORGANICS-ZINC04899414