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


ENAMINE-ZINC00335494

 MMsINC code: MMs01228486
Type: Neutral
Formula: C6H12N2O
SMILES:   O=C(N)N1CCCCC1
InChI:   InChI=1/C6H12N2O/c7-6(9)8-4-2-1-3-5-8/h1-5H2,(H2,7,9)

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)=-16.1043 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 128.175 g/mol  logS: -0.35848  SlogP: 0.551  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160141  Sterimol/B1: 2.91004  Sterimol/B2: 3.05586  Sterimol/B3: 3.48539
  Sterimol/B4: 4.2468  Sterimol/L: 9.51147 
 
 Surface and Volume Properties
  Accessible surface: 303.36  Positive charged surface: 237.665  Negative charged surface: 65.6947  Volume: 130.125
  Hydrophobic surface: 203.143  Hydrophilic surface: 100.217
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.