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


NCID-ZINC05882620

 MMsINC code: MMs02509001
Type: Neutral
Formula: C23H20N2O2
SMILES:   O=C1N(C(=O)C2C1C1C(CCC1)c1c2[nH]c2c1cccc2)c1ccccc1
InChI:   InChI=1/C23H20N2O2/c26-22-19-15-11-6-10-14(15)18-16-9-4-5-12-17(16)24-21(18)20(19)23(27)25(22)13-7-2-1-3-8-13/h1-5,7-9,12,14-15,19-20,24H,6,10-11H2/t14-,15-,19-,20+/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)=128.987 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.425 g/mol  logS: -5.74962  SlogP: 4.3384  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.03243  Sterimol/B1: 2.87693  Sterimol/B2: 3.44855  Sterimol/B3: 4.63711
  Sterimol/B4: 6.91767  Sterimol/L: 17.3067 
 
 Surface and Volume Properties
  Accessible surface: 571.782  Positive charged surface: 336.222  Negative charged surface: 230.961  Volume: 338.375
  Hydrophobic surface: 498.448  Hydrophilic surface: 73.334
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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: no related molecules available.