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


PUBCHEM-ZINC03688268

 MMsINC code: MMs03042618
Type: Neutral
Formula: C24H32N2O2
SMILES:   O(CC)c1cc(ccc1OCC)-c1[nH]c2c(c1CCCCN)c(cc(c2)C)C
InChI:   InChI=1/C24H32N2O2/c1-5-27-21-11-10-18(15-22(21)28-6-2)24-19(9-7-8-12-25)23-17(4)13-16(3)14-20(23)26-24/h10-11,13-15,26H,5-9,12,25H2,1-4H3

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)=87.5038 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.532 g/mol  logS: -5.90291  SlogP: 5.53051  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154021  Sterimol/B1: 2.58975  Sterimol/B2: 6.62458  Sterimol/B3: 6.67616
  Sterimol/B4: 6.78494  Sterimol/L: 17.3858 
 
 Surface and Volume Properties
  Accessible surface: 730.298  Positive charged surface: 526.278  Negative charged surface: 200.042  Volume: 403.375
  Hydrophobic surface: 584.737  Hydrophilic surface: 145.561
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs03042619
PUBCHEM-ZINC03688268