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


ENAMINE-ZINC05936087

 MMsINC code: MMs01645748
Type: Neutral
Formula: C12H14F2N2O
SMILES:   Fc1ccc(F)cc1NC(=O)CN1CCCC1
InChI:   InChI=1/C12H14F2N2O/c13-9-3-4-10(14)11(7-9)15-12(17)8-16-5-1-2-6-16/h3-4,7H,1-2,5-6,8H2,(H,15,17)

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)=63.6012 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.253 g/mol  logS: -2.6272  SlogP: 1.9991  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.05802  Sterimol/B1: 3.22306  Sterimol/B2: 3.40258  Sterimol/B3: 3.45637
  Sterimol/B4: 4.6487  Sterimol/L: 14.2315 
 
 Surface and Volume Properties
  Accessible surface: 451.291  Positive charged surface: 295.629  Negative charged surface: 155.662  Volume: 216.75
  Hydrophobic surface: 412.762  Hydrophilic surface: 38.529
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs01645749
ENAMINE-ZINC05936087