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


ENAMINE-ZINC05337434

 MMsINC code: MMs01607774
Type: Tautomer
Formula: C26H24N2O2
SMILES:   O=C/1N(C(=O)c2c(cccc2)\C\1=C\Nc1c(cc(cc1C)C)C)c1ccc(cc1)C
InChI:   InChI=1/C26H24N2O2/c1-16-9-11-20(12-10-16)28-25(29)22-8-6-5-7-21(22)23(26(28)30)15-27-24-18(3)13-17(2)14-19(24)4/h5-15,27H,1-4H3/b23-15+

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)=191.55 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.49 g/mol  logS: -6.90033  SlogP: 5.56028  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0785724  Sterimol/B1: 2.50932  Sterimol/B2: 4.21559  Sterimol/B3: 4.83709
  Sterimol/B4: 9.64953  Sterimol/L: 19.0452 
 
 Surface and Volume Properties
  Accessible surface: 681.979  Positive charged surface: 386.353  Negative charged surface: 295.626  Volume: 396
  Hydrophobic surface: 624.754  Hydrophilic surface: 57.225
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   
Parent related molecule:


MMs01607773
ENAMINE-ZINC05337434