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


CHEMDIV-ZINC02311255

 MMsINC code: MMs00873635
Type: Neutral
Formula: C24H29NO3
SMILES:   O1CCN(CC1)CC#CCOCCCOC(c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H29NO3/c1-3-10-22(11-4-1)24(23-12-5-2-6-13-23)28-19-9-18-26-17-8-7-14-25-15-20-27-21-16-25/h1-6,10-13,24H,9,14-21H2

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)=89.729 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.5 g/mol  logS: -4.731  SlogP: 3.63041  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0836177  Sterimol/B1: 2.47694  Sterimol/B2: 3.61582  Sterimol/B3: 5.76908
  Sterimol/B4: 8.96455  Sterimol/L: 20.0884 
 
 Surface and Volume Properties
  Accessible surface: 752.652  Positive charged surface: 533.887  Negative charged surface: 218.765  Volume: 399.875
  Hydrophobic surface: 678.295  Hydrophilic surface: 74.357
 
 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


MMs00873636
CHEMDIV-ZINC02311255