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


NCID-ZINC01702616

 MMsINC code: MMs02331890
Type: Neutral
Formula: C6H14N2O2
SMILES:   OC(=O)C(NN)CC(C)C
InChI:   InChI=1/C6H14N2O2/c1-4(2)3-5(8-7)6(9)10/h4-5,8H,3,7H2,1-2H3,(H,9,10)/t5-/m0/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)=57.7739 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.19 g/mol  logS: -0.81709  SlogP: -0.051  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.267679  Sterimol/B1: 2.12759  Sterimol/B2: 3.9414  Sterimol/B3: 4.09515
  Sterimol/B4: 4.22814  Sterimol/L: 9.81789 
 
 Surface and Volume Properties
  Accessible surface: 335.726  Positive charged surface: 229.547  Negative charged surface: 106.178  Volume: 149.625
  Hydrophobic surface: 130.97  Hydrophilic surface: 204.756
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs02331891
NCID-ZINC01702616