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


PUBCHEM-ZINC06494292

 MMsINC code: MMs03767161
Type: Neutral
Formula: C3H10N2O
SMILES:   OC(N)C(N)C
InChI:   InChI=1/C3H10N2O/c1-2(4)3(5)6/h2-3,6H,4-5H2,1H3/t2-,3-/m1/s1

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)=0.501071 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 90.126 g/mol  logS: 1.02134  SlogP: -1.3893  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.379708  Sterimol/B1: 2.24432  Sterimol/B2: 2.89704  Sterimol/B3: 3.38773
  Sterimol/B4: 4.24446  Sterimol/L: 7.81924 
 
 Surface and Volume Properties
  Accessible surface: 259.327  Positive charged surface: 197.07  Negative charged surface: 62.2572  Volume: 95.5
  Hydrophobic surface: 81.7605  Hydrophilic surface: 177.5665
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03767162
PUBCHEM-ZINC06494292