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


NCID-ZINC04974793

 MMsINC code: MMs02422842
Type: Neutral
Formula: C19H23NO2
SMILES:   O(CCCC(\C(=N\O)\c1ccccc1)(C)C)c1ccccc1
InChI:   InChI=1/C19H23NO2/c1-19(2,18(20-21)16-10-5-3-6-11-16)14-9-15-22-17-12-7-4-8-13-17/h3-8,10-13,21H,9,14-15H2,1-2H3/b20-18-

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)=155.501 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.398 g/mol  logS: -4.03873  SlogP: 4.7503  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0729946  Sterimol/B1: 2.08189  Sterimol/B2: 3.16662  Sterimol/B3: 3.86162
  Sterimol/B4: 8.40555  Sterimol/L: 16.6287 
 
 Surface and Volume Properties
  Accessible surface: 569.878  Positive charged surface: 352.215  Negative charged surface: 217.662  Volume: 308.25
  Hydrophobic surface: 481.015  Hydrophilic surface: 88.863
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.