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


CHEMBRIDGE-ZINC02485408

 MMsINC code: MMs00710442
Type: Tautomer
Formula: C19H25N3
SMILES:   n1ccccc1N1CCN(CC1)Cc1ccc(cc1)C(C)C
InChI:   InChI=1/C19H25N3/c1-16(2)18-8-6-17(7-9-18)15-21-11-13-22(14-12-21)19-5-3-4-10-20-19/h3-10,16H,11-15H2,1-2H3

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)=121.189 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.43 g/mol  logS: -3.6844  SlogP: 3.7936  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0747368  Sterimol/B1: 3.56908  Sterimol/B2: 4.06087  Sterimol/B3: 4.0712
  Sterimol/B4: 4.84566  Sterimol/L: 17.7919 
 
 Surface and Volume Properties
  Accessible surface: 583.305  Positive charged surface: 431.918  Negative charged surface: 151.387  Volume: 316.125
  Hydrophobic surface: 515.916  Hydrophilic surface: 67.389
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  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:


MMs00710441
CHEMBRIDGE-ZINC02485408