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


PUBCHEM-ZINC03687878

 MMsINC code: MMs03042339
Type: Ionized
Formula: C24H33N2+
SMILES:   [NH3+]CCCCc1c2cc(ccc2[nH]c1-c1cc(cc(c1)C)C)C(CC)C
InChI:   InChI=1/C24H32N2/c1-5-18(4)19-9-10-23-22(15-19)21(8-6-7-11-25)24(26-23)20-13-16(2)12-17(3)14-20/h9-10,12-15,18,26H,5-8,11,25H2,1-4H3/p+1/t18-/m1/s1

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)=47.7541 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.542 g/mol  logS: -7.14292  SlogP: 5.52981  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122385  Sterimol/B1: 3.67935  Sterimol/B2: 5.24568  Sterimol/B3: 5.87335
  Sterimol/B4: 7.43919  Sterimol/L: 17.1443 
 
 Surface and Volume Properties
  Accessible surface: 720.274  Positive charged surface: 529.304  Negative charged surface: 186.604  Volume: 395
  Hydrophobic surface: 580.995  Hydrophilic surface: 139.279
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  Chiral centers: 1
 
 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:  
   
Parent related molecule:


MMs03042338
PUBCHEM-ZINC03687878