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


PUBCHEM-ZINC06868983

 MMsINC code: MMs03883334
Type: Ionized
Formula: C19H25N2+
SMILES:   [NH2+](Cc1cc2c3c(n(c2cc1)CC)cccc3)CCCC
InChI:   InChI=1/C19H24N2/c1-3-5-12-20-14-15-10-11-19-17(13-15)16-8-6-7-9-18(16)21(19)4-2/h6-11,13,20H,3-5,12,14H2,1-2H3/p+1

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)=31.738 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.423 g/mol  logS: -4.50299  SlogP: 4.2107  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0476267  Sterimol/B1: 2.22697  Sterimol/B2: 4.98888  Sterimol/B3: 5.12966
  Sterimol/B4: 5.44583  Sterimol/L: 17.4434 
 
 Surface and Volume Properties
  Accessible surface: 589.721  Positive charged surface: 401.83  Negative charged surface: 175.793  Volume: 314.875
  Hydrophobic surface: 515.093  Hydrophilic surface: 74.628
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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:  
   
Parent related molecule:


MMs03883333
PUBCHEM-ZINC06868983