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


PUBCHEM-ZINC04214171

 MMsINC code: MMs03101915
Type: Neutral
Formula: C23H26N2O3
SMILES:   O1CCN(CC1)CCn1c2c(cccc2)c(C(=O)c2ccc(OC)cc2)c1C
InChI:   InChI=1/C23H26N2O3/c1-17-22(23(26)18-7-9-19(27-2)10-8-18)20-5-3-4-6-21(20)25(17)12-11-24-13-15-28-16-14-24/h3-10H,11-16H2,1-2H3

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)=116.369 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.472 g/mol  logS: -4.19474  SlogP: 3.78792  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.162445  Sterimol/B1: 2.29349  Sterimol/B2: 5.07157  Sterimol/B3: 6.54826
  Sterimol/B4: 6.62939  Sterimol/L: 15.9946 
 
 Surface and Volume Properties
  Accessible surface: 661.797  Positive charged surface: 459.584  Negative charged surface: 198.915  Volume: 380.75
  Hydrophobic surface: 603.66  Hydrophilic surface: 58.137
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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


MMs03101916
PUBCHEM-ZINC04214171