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


CHEMDIV-ZINC05153170

 MMsINC code: MMs00993532
Type: Neutral
Formula: C24H33NO2
SMILES:   O1CCN(CC1)CC(C(O)(CCC(C)C)c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H33NO2/c1-20(2)13-14-24(26,22-11-7-4-8-12-22)23(21-9-5-3-6-10-21)19-25-15-17-27-18-16-25/h3-12,20,23,26H,13-19H2,1-2H3/t23-,24+/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)=123.356 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.533 g/mol  logS: -5.12384  SlogP: 4.7379  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.199502  Sterimol/B1: 3.81932  Sterimol/B2: 4.5186  Sterimol/B3: 4.65627
  Sterimol/B4: 8.08337  Sterimol/L: 14.2102 
 
 Surface and Volume Properties
  Accessible surface: 645.089  Positive charged surface: 479.965  Negative charged surface: 165.124  Volume: 393.5
  Hydrophobic surface: 576.606  Hydrophilic surface: 68.483
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs00993533
CHEMDIV-ZINC05153170