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


ENAMINE-ZINC06509971

 MMsINC code: MMs01666408
Type: Neutral
Formula: C20H26N2O2
SMILES:   O(C)c1ccc(cc1)C(N(C)C)CNC(=O)c1cc(C)c(cc1)C
InChI:   InChI=1/C20H26N2O2/c1-14-6-7-17(12-15(14)2)20(23)21-13-19(22(3)4)16-8-10-18(24-5)11-9-16/h6-12,19H,13H2,1-5H3,(H,21,23)/t19-/m1/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)=118.714 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.44 g/mol  logS: -4.19502  SlogP: 3.44024  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0465002  Sterimol/B1: 3.8974  Sterimol/B2: 4.04223  Sterimol/B3: 4.16592
  Sterimol/B4: 5.20927  Sterimol/L: 19.1388 
 
 Surface and Volume Properties
  Accessible surface: 619.706  Positive charged surface: 442.898  Negative charged surface: 176.808  Volume: 340.875
  Hydrophobic surface: 571.767  Hydrophilic surface: 47.939
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs01666409
ENAMINE-ZINC06509971