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


NCID-ZINC01688370

 MMsINC code: MMs02320956
Type: Neutral
Formula: C6H14N2O2
SMILES:   OC(=O)C(NN)C(CC)C
InChI:   InChI=1/C6H14N2O2/c1-3-4(2)5(8-7)6(9)10/h4-5,8H,3,7H2,1-2H3,(H,9,10)/t4-,5-/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)=42.6203 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.19 g/mol  logS: -0.50364  SlogP: -0.051  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.164918  Sterimol/B1: 2.90209  Sterimol/B2: 3.16919  Sterimol/B3: 3.3953
  Sterimol/B4: 4.80953  Sterimol/L: 9.43842 
 
 Surface and Volume Properties
  Accessible surface: 341.836  Positive charged surface: 240.735  Negative charged surface: 101.101  Volume: 148.125
  Hydrophobic surface: 135.145  Hydrophilic surface: 206.691
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs02320957
NCID-ZINC01688370