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


NCID-ZINC04777548

 MMsINC code: MMs02404771
Type: Neutral
Formula: C23H23NO
SMILES:   OC(C(N1CCc2c(C1)cccc2)c1ccccc1)c1ccccc1
InChI:   InChI=1/C23H23NO/c25-23(20-12-5-2-6-13-20)22(19-10-3-1-4-11-19)24-16-15-18-9-7-8-14-21(18)17-24/h1-14,22-23,25H,15-17H2/t22-,23-/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)=153.734 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.443 g/mol  logS: -4.77346  SlogP: 4.97697  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146313  Sterimol/B1: 2.41293  Sterimol/B2: 3.40964  Sterimol/B3: 3.83578
  Sterimol/B4: 10.0286  Sterimol/L: 14.0244 
 
 Surface and Volume Properties
  Accessible surface: 561.871  Positive charged surface: 335.446  Negative charged surface: 226.425  Volume: 340.75
  Hydrophobic surface: 534.299  Hydrophilic surface: 27.572
 
 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


MMs02404772
NCID-ZINC04777548