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


PUBCHEM-ZINC03872813

 MMsINC code: MMs03081500
Type: Neutral
Formula: C6H11N3
SMILES:   [nH]1cncc1CC(N)C
InChI:   InChI=1/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/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)=11.2403 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 125.175 g/mol  logS: -0.19562  SlogP: 0.29937  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134238  Sterimol/B1: 2.84908  Sterimol/B2: 3.02773  Sterimol/B3: 3.43877
  Sterimol/B4: 3.67172  Sterimol/L: 10.3529 
 
 Surface and Volume Properties
  Accessible surface: 317.514  Positive charged surface: 264.766  Negative charged surface: 52.7482  Volume: 134.5
  Hydrophobic surface: 201.543  Hydrophilic surface: 115.971
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03081501
PUBCHEM-ZINC03872813


MMs03081502
PUBCHEM-ZINC03872813