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


PUBCHEM-ZINC06096295

 MMsINC code: MMs03542395
Type: Ionized
Formula: C24H37N4+3
SMILES:   [NH+]1(CCN(CC1)CC[NH+]1CC[NH+](CC1)Cc1ccccc1)Cc1ccccc1
InChI:   InChI=1/C24H34N4/c1-3-7-23(8-4-1)21-27-17-13-25(14-18-27)11-12-26-15-19-28(20-16-26)22-24-9-5-2-6-10-24/h1-10H,11-22H2/p+3

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)=163.953 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.588 g/mol  logS: -2.94241  SlogP: -1.0965  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0595968  Sterimol/B1: 2.41039  Sterimol/B2: 3.4859  Sterimol/B3: 4.93752
  Sterimol/B4: 7.01703  Sterimol/L: 20.6552 
 
 Surface and Volume Properties
  Accessible surface: 735.348  Positive charged surface: 572.589  Negative charged surface: 162.759  Volume: 421.125
  Hydrophobic surface: 670.519  Hydrophilic surface: 64.829
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 3
  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:  
   
Parent related molecule:


MMs03542394
PUBCHEM-ZINC06096295