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


ENAMINE-ZINC05446553

 MMsINC code: MMs01614624
Type: Neutral
Formula: C15H19F2N3O
SMILES:   Fc1cccc(F)c1/C(=N\NC(=O)NC1CCCCC1)/C
InChI:   InChI=1/C15H19F2N3O/c1-10(14-12(16)8-5-9-13(14)17)19-20-15(21)18-11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7H2,1H3,(H2,18,20,21)/b19-10+

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)=37.8553 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.333 g/mol  logS: -3.97873  SlogP: 3.3207  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0867348  Sterimol/B1: 2.18322  Sterimol/B2: 3.65356  Sterimol/B3: 4.08162
  Sterimol/B4: 7.03444  Sterimol/L: 15.1671 
 
 Surface and Volume Properties
  Accessible surface: 543.147  Positive charged surface: 339.461  Negative charged surface: 203.686  Volume: 275.625
  Hydrophobic surface: 472.648  Hydrophilic surface: 70.499
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.