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


PUBCHEM-ZINC00337305

 MMsINC code: MMs02658187
Type: Neutral
Formula: C10H14N2
SMILES:   N(N=C(C)C)c1cc(ccc1)C
InChI:   InChI=1/C10H14N2/c1-8(2)11-12-10-6-4-5-9(3)7-10/h4-7,12H,1-3H3

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)=50.646 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.236 g/mol  logS: -2.02645  SlogP: 2.80272  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0180397  Sterimol/B1: 2.40972  Sterimol/B2: 2.51222  Sterimol/B3: 2.51514
  Sterimol/B4: 5.71036  Sterimol/L: 12.9703 
 
 Surface and Volume Properties
  Accessible surface: 403.737  Positive charged surface: 253.867  Negative charged surface: 149.87  Volume: 184
  Hydrophobic surface: 381.302  Hydrophilic surface: 22.435
 
 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.