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


ENAMINE-ZINC02632782

 MMsINC code: MMs01263407
Type: Neutral
Formula: C23H28N2O
SMILES:   O=C(N1CCc2c(C1)cccc2)CN1CCC(CC1)Cc1ccccc1
InChI:   InChI=1/C23H28N2O/c26-23(25-15-12-21-8-4-5-9-22(21)17-25)18-24-13-10-20(11-14-24)16-19-6-2-1-3-7-19/h1-9,20H,10-18H2

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)=89.5358 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.49 g/mol  logS: -4.27831  SlogP: 3.79234  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0864107  Sterimol/B1: 2.39811  Sterimol/B2: 3.51727  Sterimol/B3: 5.18331
  Sterimol/B4: 7.40658  Sterimol/L: 17.7364 
 
 Surface and Volume Properties
  Accessible surface: 643.979  Positive charged surface: 442.816  Negative charged surface: 201.163  Volume: 366.125
  Hydrophobic surface: 617.169  Hydrophilic surface: 26.81
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs01263408
ENAMINE-ZINC02632782