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


PUBCHEM-ZINC05735615

 MMsINC code: MMs03365538
Type: Ionized
Formula: C24H30N+
SMILES:   [NH+]1(CCCCC1C)CCC=C1c2c(CCc3c1cccc3)cccc2
InChI:   InChI=1/C24H29N/c1-19-9-6-7-17-25(19)18-8-14-24-22-12-4-2-10-20(22)15-16-21-11-3-5-13-23(21)24/h2-5,10-14,19H,6-9,15-18H2,1H3/p+1/t19-/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)=82.1327 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.511 g/mol  logS: -5.32433  SlogP: 3.88153  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.174624  Sterimol/B1: 2.71522  Sterimol/B2: 3.82837  Sterimol/B3: 5.96401
  Sterimol/B4: 6.68575  Sterimol/L: 16.3492 
 
 Surface and Volume Properties
  Accessible surface: 588.903  Positive charged surface: 427.857  Negative charged surface: 161.046  Volume: 370.5
  Hydrophobic surface: 564.578  Hydrophilic surface: 24.325
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   
Parent related molecule:


MMs03365537
PUBCHEM-ZINC05735615