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


PUBCHEM-ZINC01996109

 MMsINC code: MMs02839214
Type: Neutral
Formula: C19H24N4O4
SMILES:   O(CCCOc1ccc(cc1OC)C(N)=N)c1ccc(cc1OC)C(N)=N
InChI:   InChI=1/C19H24N4O4/c1-24-16-10-12(18(20)21)4-6-14(16)26-8-3-9-27-15-7-5-13(19(22)23)11-17(15)25-2/h4-7,10-11H,3,8-9H2,1-2H3,(H3,20,21)(H3,22,23)

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)=109.086 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.425 g/mol  logS: -4.48827  SlogP: 2.11984  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00507704  Sterimol/B1: 2.37823  Sterimol/B2: 2.38973  Sterimol/B3: 2.55851
  Sterimol/B4: 8.11038  Sterimol/L: 20.7562 
 
 Surface and Volume Properties
  Accessible surface: 679.252  Positive charged surface: 489.234  Negative charged surface: 190.018  Volume: 355.25
  Hydrophobic surface: 428.073  Hydrophilic surface: 251.179
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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


MMs02839215
PUBCHEM-ZINC01996109