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


MAYBRIDGE-ZINC00151283

 MMsINC code: MMs02141759
Type: Tautomer
Formula: C19H27N3
SMILES:   [nH]1cc(c2c1cccc2)CN1CCC(N2CCCCC2)CC1
InChI:   InChI=1/C19H27N3/c1-4-10-22(11-5-1)17-8-12-21(13-9-17)15-16-14-20-19-7-3-2-6-18(16)19/h2-3,6-7,14,17,20H,1,4-5,8-13,15H2

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)=40.9132 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.446 g/mol  logS: -2.75065  SlogP: 3.8846  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132656  Sterimol/B1: 2.64465  Sterimol/B2: 3.07448  Sterimol/B3: 5.23065
  Sterimol/B4: 6.51732  Sterimol/L: 15.0364 
 
 Surface and Volume Properties
  Accessible surface: 561.168  Positive charged surface: 420.886  Negative charged surface: 136.101  Volume: 316.875
  Hydrophobic surface: 511.581  Hydrophilic surface: 49.587
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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:


MMs02141758
MAYBRIDGE-ZINC00151283