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


CHEMBRIDGE-ZINC02735145

 MMsINC code: MMs00714290
Type: Tautomer
Formula: C19H27F3N2
SMILES:   FC(F)(F)c1ccccc1CN1CCC(N2CC(CCC2)C)CC1
InChI:   InChI=1/C19H27F3N2/c1-15-5-4-10-24(13-15)17-8-11-23(12-9-17)14-16-6-2-3-7-18(16)19(20,21)22/h2-3,6-7,15,17H,4-5,8-14H2,1H3/t15-/m0/s1

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)=61.9296 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.433 g/mol  logS: -3.71907  SlogP: 4.9796  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136627  Sterimol/B1: 3.16288  Sterimol/B2: 4.14479  Sterimol/B3: 4.16355
  Sterimol/B4: 5.72847  Sterimol/L: 15.5241 
 
 Surface and Volume Properties
  Accessible surface: 566.714  Positive charged surface: 382.975  Negative charged surface: 183.739  Volume: 329.5
  Hydrophobic surface: 462.569  Hydrophilic surface: 104.145
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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:  
   
Parent related molecule:


MMs00714289
CHEMBRIDGE-ZINC02735145