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


CHEMDIV-ZINC02502264

 MMsINC code: MMs00882680
Type: Neutral
Formula: C23H26N2O2
SMILES:   Oc1c2ncccc2c(cc1CN1CCCCC1)COCc1ccccc1
InChI:   InChI=1/C23H26N2O2/c26-23-19(15-25-12-5-2-6-13-25)14-20(21-10-7-11-24-22(21)23)17-27-16-18-8-3-1-4-9-18/h1,3-4,7-11,14,26H,2,5-6,12-13,15-17H2

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)=89.6797 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.473 g/mol  logS: -4.12117  SlogP: 5.4423  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119519  Sterimol/B1: 2.98212  Sterimol/B2: 3.60273  Sterimol/B3: 4.38855
  Sterimol/B4: 10.6028  Sterimol/L: 14.2605 
 
 Surface and Volume Properties
  Accessible surface: 661.533  Positive charged surface: 467.573  Negative charged surface: 188.264  Volume: 367.625
  Hydrophobic surface: 595.432  Hydrophilic surface: 66.101
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00882681
CHEMDIV-ZINC02502264