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


NCID-ZINC01670575

MMsINC code: MMs02306585

Type: Neutral
Formula: C3H10N2O
SMILES:   OC(CNN)C
InChI:   InChI=1/C3H10N2O/c1-3(6)2-5-4/h3,5-6H,2,4H2,1H3/t3-/m0/s1

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)=27.3981 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 90.126 g/mol  logS: 0.6135  SlogP: -1.1695  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102854  Sterimol/B1: 2.38354  Sterimol/B2: 2.53876  Sterimol/B3: 2.85405
  Sterimol/B4: 3.91048  Sterimol/L: 9.4014 
 
 Surface and Volume Properties
  Accessible surface: 272.662  Positive charged surface: 210.051  Negative charged surface: 62.6109  Volume: 96
  Hydrophobic surface: 108.529  Hydrophilic surface: 164.133
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.