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


NCID-ZINC01675112

 MMsINC code: MMs02310502
Type: Tautomer
Formula: C11H25N3
SMILES:   N(CC)(CC)C(N(CC)CC)=NCC
InChI:   InChI=1/C11H25N3/c1-6-12-11(13(7-2)8-3)14(9-4)10-5/h6-10H2,1-5H3

Download   format file 
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)=112.274 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.342 g/mol  logS: -1.12317  SlogP: 2.0459  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147047  Sterimol/B1: 2.44728  Sterimol/B2: 3.13154  Sterimol/B3: 3.39379
  Sterimol/B4: 8.26115  Sterimol/L: 10.5986 
 
 Surface and Volume Properties
  Accessible surface: 439.179  Positive charged surface: 338.977  Negative charged surface: 100.201  Volume: 231.625
  Hydrophobic surface: 310.7  Hydrophilic surface: 128.479
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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:  
   
Parent related molecule:


MMs02310501
NCID-ZINC01675112