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


OAKWOOD-ZINC02380303

 MMsINC code: MMs02543460
Type: Neutral
Formula: C22H23NO
SMILES:   O(Cc1ccccc1)c1ccc(cc1)CNC(C)c1ccccc1
InChI:   InChI=1/C22H23NO/c1-18(21-10-6-3-7-11-21)23-16-19-12-14-22(15-13-19)24-17-20-8-4-2-5-9-20/h2-15,18,23H,16-17H2,1H3/t18-/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)=77.8729 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.432 g/mol  logS: -5.03877  SlogP: 5.7447  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0448536  Sterimol/B1: 2.30937  Sterimol/B2: 2.37575  Sterimol/B3: 5.49871
  Sterimol/B4: 6.61909  Sterimol/L: 20.0969 
 
 Surface and Volume Properties
  Accessible surface: 648.74  Positive charged surface: 376.345  Negative charged surface: 272.395  Volume: 341.625
  Hydrophobic surface: 606.98  Hydrophilic surface: 41.76
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02543461
OAKWOOD-ZINC02380303