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


ENAMINE-ZINC03335432

 MMsINC code: MMs01379449
Type: Neutral
Formula: C23H26N2O
SMILES:   Oc1ccc2c(cccc2)c1CN1CC(N(CC1)c1cc(ccc1)C)C
InChI:   InChI=1/C23H26N2O/c1-17-6-5-8-20(14-17)25-13-12-24(15-18(25)2)16-22-21-9-4-3-7-19(21)10-11-23(22)26/h3-11,14,18,26H,12-13,15-16H2,1-2H3/t18-/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)=166.002 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.474 g/mol  logS: -5.44398  SlogP: 4.83092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.16125  Sterimol/B1: 2.06272  Sterimol/B2: 3.35122  Sterimol/B3: 5.98539
  Sterimol/B4: 7.50627  Sterimol/L: 15.9001 
 
 Surface and Volume Properties
  Accessible surface: 612.516  Positive charged surface: 393.768  Negative charged surface: 208.408  Volume: 357.375
  Hydrophobic surface: 552.263  Hydrophilic surface: 60.253
 
 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


MMs01379450
ENAMINE-ZINC03335432