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


BACHEM-ZINC02556637

 MMsINC code: MMs00483735
Type: Neutral
Formula: C6H14N2O2
SMILES:   O(C(=O)C(N)CCCN)C
InChI:   InChI=1/C6H14N2O2/c1-10-6(9)5(8)3-2-4-7/h5H,2-4,7-8H2,1H3/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)=22.4498 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.19 g/mol  logS: 0.21503  SlogP: -0.7744  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0745342  Sterimol/B1: 2.34653  Sterimol/B2: 2.85434  Sterimol/B3: 3.04963
  Sterimol/B4: 5.27138  Sterimol/L: 12.2917 
 
 Surface and Volume Properties
  Accessible surface: 364.354  Positive charged surface: 304.064  Negative charged surface: 60.2895  Volume: 151.75
  Hydrophobic surface: 208.871  Hydrophilic surface: 155.483
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00483736
BACHEM-ZINC02556637