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


NCID-ZINC05823937

 MMsINC code: MMs02503038
Type: Neutral
Formula: C23H20N2O
SMILES:   O1CC2C(N(N=C2c2ccccc2)c2ccccc2)c2cc(ccc12)C
InChI:   InChI=1/C23H20N2O/c1-16-12-13-21-19(14-16)23-20(15-26-21)22(17-8-4-2-5-9-17)24-25(23)18-10-6-3-7-11-18/h2-14,20,23H,15H2,1H3/t20-,23+/m1/s1

Download   format file 
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)=142.105 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.426 g/mol  logS: -5.72765  SlogP: 5.06472  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0670799  Sterimol/B1: 3.54036  Sterimol/B2: 3.88206  Sterimol/B3: 4.69593
  Sterimol/B4: 6.82894  Sterimol/L: 15.8224 
 
 Surface and Volume Properties
  Accessible surface: 581.373  Positive charged surface: 346.774  Negative charged surface: 234.599  Volume: 339.25
  Hydrophobic surface: 558.079  Hydrophilic surface: 23.294
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.