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


ENAMINE-ZINC05443887

 MMsINC code: MMs01613503
Type: Neutral
Formula: C20H26FNO2
SMILES:   Fc1ccc(OCC(=O)NC(C)C23CC4CC(C2)CC(C3)C4)cc1
InChI:   InChI=1/C20H26FNO2/c1-13(20-9-14-6-15(10-20)8-16(7-14)11-20)22-19(23)12-24-18-4-2-17(21)3-5-18/h2-5,13-16H,6-12H2,1H3,(H,22,23)/t13-,14-,15+,16-,20-/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)=82.3551 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.431 g/mol  logS: -5.94774  SlogP: 3.9256  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0704446  Sterimol/B1: 2.137  Sterimol/B2: 2.67862  Sterimol/B3: 4.97412
  Sterimol/B4: 6.77434  Sterimol/L: 17.3399 
 
 Surface and Volume Properties
  Accessible surface: 574.412  Positive charged surface: 383.507  Negative charged surface: 190.905  Volume: 322.875
  Hydrophobic surface: 513.744  Hydrophilic surface: 60.668
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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:  
   

Ions/Tautomers related molecules: no related molecules available.