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


NCID-ZINC05369167

 MMsINC code: MMs02455335
Type: Neutral
Formula: C20H39N3O2P+
SMILES:   [P+](N(CC)CC)(N(CC)CC)(N(CC)CC)c1ccc(OC)cc1OC
InChI:   InChI=1/C20H39N3O2P/c1-9-21(10-2)26(22(11-3)12-4,23(13-5)14-6)20-16-15-18(24-7)17-19(20)25-8/h15-17H,9-14H2,1-8H3/q+1

Download   format file 
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)=68.9337 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.525 g/mol  logS: -2.32785  SlogP: 4.1171  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.452133  Sterimol/B1: 2.34612  Sterimol/B2: 4.24296  Sterimol/B3: 7.0885
  Sterimol/B4: 8.21992  Sterimol/L: 14.5249 
 
 Surface and Volume Properties
  Accessible surface: 609.81  Positive charged surface: 467.35  Negative charged surface: 142.46  Volume: 409.25
  Hydrophobic surface: 491.027  Hydrophilic surface: 118.783
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 1
  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: no related molecules available.