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


PUBCHEM-ZINC06382505

 MMsINC code: MMs03697679
Type: Neutral
Formula: C23H33NO2
SMILES:   Oc1cc2CCC3C4CCC(=O)C4(CCC3c2cc1CN(CC)CC)C
InChI:   InChI=1/C23H33NO2/c1-4-24(5-2)14-16-12-19-15(13-21(16)25)6-7-18-17(19)10-11-23(3)20(18)8-9-22(23)26/h12-13,17-18,20,25H,4-11,14H2,1-3H3/t17-,18-,20-,23-/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)=103.152 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.522 g/mol  logS: -4.63845  SlogP: 4.92557  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0777308  Sterimol/B1: 3.05397  Sterimol/B2: 4.2721  Sterimol/B3: 4.3825
  Sterimol/B4: 5.22352  Sterimol/L: 17.2947 
 
 Surface and Volume Properties
  Accessible surface: 601.022  Positive charged surface: 432.625  Negative charged surface: 168.397  Volume: 372.625
  Hydrophobic surface: 466.197  Hydrophilic surface: 134.825
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs03697680
PUBCHEM-ZINC06382505