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


CHEMDIV-ZINC02709289

 MMsINC code: MMs00885152
Type: Neutral
Formula: C19H19FN4O
SMILES:   Fc1ccc(N2CCN(CC2)Cc2oc(nn2)-c2ccccc2)cc1
InChI:   InChI=1/C19H19FN4O/c20-16-6-8-17(9-7-16)24-12-10-23(11-13-24)14-18-21-22-19(25-18)15-4-2-1-3-5-15/h1-9H,10-14H2

Download   format file 
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)=152.68 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.386 g/mol  logS: -5.22075  SlogP: 3.4643  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0532568  Sterimol/B1: 3.27307  Sterimol/B2: 3.36323  Sterimol/B3: 3.62332
  Sterimol/B4: 6.93749  Sterimol/L: 17.9446 
 
 Surface and Volume Properties
  Accessible surface: 601.502  Positive charged surface: 359.122  Negative charged surface: 242.379  Volume: 322.75
  Hydrophobic surface: 516.118  Hydrophilic surface: 85.384
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs00885153
CHEMDIV-ZINC02709289