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


FDA-ZINC01482162

 MMsINC code: MMs01725443
Type: Neutral
Formula: C20H25N2+
SMILES:   [NH+](CCC=1Cc2c(cccc2)C=1C(C)c1ncccc1)(C)C
InChI:   InChI=1/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3/p+1/t15-/m0/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)=68.3393 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.434 g/mol  logS: -3.0621  SlogP: 2.72957  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.208671  Sterimol/B1: 2.2387  Sterimol/B2: 5.00463  Sterimol/B3: 6.4334
  Sterimol/B4: 6.67203  Sterimol/L: 14.0655 
 
 Surface and Volume Properties
  Accessible surface: 554.666  Positive charged surface: 418.154  Negative charged surface: 136.512  Volume: 325
  Hydrophobic surface: 483.717  Hydrophilic surface: 70.949
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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:  
   

Ions/Tautomers related molecules


MMs01725444
FDA-ZINC01482162