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


MAYBRIDGE-ZINC05177586

 MMsINC code: MMs02175378
Type: Neutral
Formula: C10H14N3+
SMILES:   [NH2+](Cc1nn(c2c1cccc2)C)C
InChI:   InChI=1/C10H13N3/c1-11-7-9-8-5-3-4-6-10(8)13(2)12-9/h3-6,11H,7H2,1-2H3/p+1

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)=20.9921 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 176.243 g/mol  logS: -1.43064  SlogP: 0.8921  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0323948  Sterimol/B1: 2.57404  Sterimol/B2: 2.70813  Sterimol/B3: 4.43078
  Sterimol/B4: 5.23419  Sterimol/L: 12.5574 
 
 Surface and Volume Properties
  Accessible surface: 405.061  Positive charged surface: 312.766  Negative charged surface: 86.2584  Volume: 187.25
  Hydrophobic surface: 339.815  Hydrophilic surface: 65.246
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  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


MMs02175379
MAYBRIDGE-ZINC05177586