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


CHEMBLOCK-ZINC02503951

 MMsINC code: MMs00532580
Type: Neutral
Formula: C15H22F3N3O3
SMILES:   FC(F)(F)C1(NC(=O)N(C1=O)C1CCCCC1)NC(=O)CCCC
InChI:   InChI=1/C15H22F3N3O3/c1-2-3-9-11(22)19-14(15(16,17)18)12(23)21(13(24)20-14)10-7-5-4-6-8-10/h10H,2-9H2,1H3,(H,19,22)(H,20,24)/t14-/m1/s1

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)=39.0599 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.353 g/mol  logS: -4.05672  SlogP: 2.8558  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0711029  Sterimol/B1: 2.59676  Sterimol/B2: 2.80044  Sterimol/B3: 4.05585
  Sterimol/B4: 7.12792  Sterimol/L: 16.851 
 
 Surface and Volume Properties
  Accessible surface: 561.849  Positive charged surface: 363.936  Negative charged surface: 197.914  Volume: 302.125
  Hydrophobic surface: 359.021  Hydrophilic surface: 202.828
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.