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


NCID-ZINC01688606

 MMsINC code: MMs02321229
Type: Neutral
Formula: C20H23NO
SMILES:   OC1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1
InChI:   InChI=1/C20H23NO/c22-20-17-11-13-21(14-12-17)19(20)18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-20,22H,11-14H2/t19-,20-/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)=120.982 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.41 g/mol  logS: -3.53527  SlogP: 3.2736  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.316723  Sterimol/B1: 2.4227  Sterimol/B2: 3.68323  Sterimol/B3: 3.90132
  Sterimol/B4: 9.24803  Sterimol/L: 11.3781 
 
 Surface and Volume Properties
  Accessible surface: 520.198  Positive charged surface: 361.816  Negative charged surface: 158.383  Volume: 302.875
  Hydrophobic surface: 496.782  Hydrophilic surface: 23.416
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02321230
NCID-ZINC01688606