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


ENAMINE-ZINC03257115

 MMsINC code: MMs01334172
Type: Neutral
Formula: C23H22FN3O2
SMILES:   Fc1ccc(cc1)-c1nc2c(cccc2)c(c1)C(=O)NCCCN1CCCC1=O
InChI:   InChI=1/C23H22FN3O2/c24-17-10-8-16(9-11-17)21-15-19(18-5-1-2-6-20(18)26-21)23(29)25-12-4-14-27-13-3-7-22(27)28/h1-2,5-6,8-11,15H,3-4,7,12-14H2,(H,25,29)

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)=79.4115 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.446 g/mol  logS: -5.31059  SlogP: 3.7832  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0245552  Sterimol/B1: 2.56464  Sterimol/B2: 3.32268  Sterimol/B3: 4.02028
  Sterimol/B4: 11.9128  Sterimol/L: 17.4528 
 
 Surface and Volume Properties
  Accessible surface: 681.479  Positive charged surface: 403.982  Negative charged surface: 266.427  Volume: 373.125
  Hydrophobic surface: 588.815  Hydrophilic surface: 92.664
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.