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


NCID-ZINC01665564

 MMsINC code: MMs02301695
Type: Neutral
Formula: C17H20N4O2
SMILES:   O(CCCOc1ccc(cc1)C(N)=N)c1ccc(cc1)C(N)=N
InChI:   InChI=1/C17H20N4O2/c18-16(19)12-2-6-14(7-3-12)22-10-1-11-23-15-8-4-13(5-9-15)17(20)21/h2-9H,1,10-11H2,(H3,18,19)(H3,20,21)

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)=72.8832 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.373 g/mol  logS: -4.38751  SlogP: 2.10264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00380434  Sterimol/B1: 2.37504  Sterimol/B2: 2.37527  Sterimol/B3: 3.20179
  Sterimol/B4: 5.40558  Sterimol/L: 20.7499 
 
 Surface and Volume Properties
  Accessible surface: 594.953  Positive charged surface: 370.305  Negative charged surface: 224.647  Volume: 304.875
  Hydrophobic surface: 357.192  Hydrophilic surface: 237.761
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs02301696
NCID-ZINC01665564