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


PUBCHEM-ZINC00664937

MMsINC code: MMs02723168

Type: Neutral
Formula: C23H27NO3
SMILES:   OC1(c2c(CCc3c1cccc3)cccc2)C(OCC1N(CCCC1)C)=O
InChI:   InChI=1/C23H27NO3/c1-24-15-7-6-10-19(24)16-27-22(25)23(26)20-11-4-2-8-17(20)13-14-18-9-3-5-12-21(18)23/h2-5,8-9,11-12,19,26H,6-7,10,13-16H2,1H3/t19-/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)=154.662 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.473 g/mol  logS: -4.82981  SlogP: 3.36004  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0954921  Sterimol/B1: 2.30905  Sterimol/B2: 5.22188  Sterimol/B3: 5.36216
  Sterimol/B4: 7.03266  Sterimol/L: 15.087 
 
 Surface and Volume Properties
  Accessible surface: 589.878  Positive charged surface: 405.951  Negative charged surface: 183.927  Volume: 363.625
  Hydrophobic surface: 545.875  Hydrophilic surface: 44.003
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1

  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02723169
PUBCHEM-ZINC00664937