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


OAKWOOD-ZINC04298898

 MMsINC code: MMs02552475
Type: Neutral
Formula: C10H15N3O
SMILES:   O(C)c1ccc(cc1)CCNC(N)=N
InChI:   InChI=1/C10H15N3O/c1-14-9-4-2-8(3-5-9)6-7-13-10(11)12/h2-5H,6-7H2,1H3,(H4,11,12,13)

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)=-1.41711 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.25 g/mol  logS: -1.79083  SlogP: 0.72074  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.083446  Sterimol/B1: 2.49777  Sterimol/B2: 3.22085  Sterimol/B3: 3.44302
  Sterimol/B4: 4.57108  Sterimol/L: 15.03 
 
 Surface and Volume Properties
  Accessible surface: 434.38  Positive charged surface: 314.299  Negative charged surface: 120.081  Volume: 198.75
  Hydrophobic surface: 276.639  Hydrophilic surface: 157.741
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  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


MMs02552476
OAKWOOD-ZINC04298898