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


PUBCHEM-ZINC03634047

 MMsINC code: MMs03028673
Type: Ionized
Formula: C24H38N2O2+2
SMILES:   O(CC[NH+](C)C)c1ccc(cc1)C(C(C)c1ccc(OCC[NH+](C)C)cc1)C
InChI:   InChI=1/C24H36N2O2/c1-19(21-7-11-23(12-8-21)27-17-15-25(3)4)20(2)22-9-13-24(14-10-22)28-18-16-26(5)6/h7-14,19-20H,15-18H2,1-6H3/p+2/t19-,20+

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)=93.7268 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.58 g/mol  logS: -4.75438  SlogP: 1.6404  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0350723  Sterimol/B1: 2.08879  Sterimol/B2: 3.36314  Sterimol/B3: 4.32294
  Sterimol/B4: 6.54557  Sterimol/L: 24.3335 
 
 Surface and Volume Properties
  Accessible surface: 778.64  Positive charged surface: 644.025  Negative charged surface: 134.615  Volume: 436.375
  Hydrophobic surface: 633.683  Hydrophilic surface: 144.957
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 2
  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:  
   
Parent related molecule:


MMs03028672
PUBCHEM-ZINC03634047