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


NCID-ZINC05082469

 MMsINC code: MMs02438085
Type: Neutral
Formula: C15H29FN2O
SMILES:   FCCNC(=O)NC1CCCCCCCCCCC1
InChI:   InChI=1/C15H29FN2O/c16-12-13-17-15(19)18-14-10-8-6-4-2-1-3-5-7-9-11-14/h14H,1-13H2,(H2,17,18,19)

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)=92.2733 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.408 g/mol  logS: -4.49048  SlogP: 3.9284  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.428175  Sterimol/B1: 2.53539  Sterimol/B2: 5.04328  Sterimol/B3: 5.04764
  Sterimol/B4: 6.89984  Sterimol/L: 12.6405 
 
 Surface and Volume Properties
  Accessible surface: 510.913  Positive charged surface: 374.501  Negative charged surface: 136.412  Volume: 287.125
  Hydrophobic surface: 437.618  Hydrophilic surface: 73.295
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.