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


NANOSIN-ZINC01506499

 MMsINC code: MMs02195150
Type: Neutral
Formula: C19H23N4+
SMILES:   [nH+]1c2c(n(C)c1\N=C\c1ccc(N(CC)CC)cc1)cccc2
InChI:   InChI=1/C19H22N4/c1-4-23(5-2)16-12-10-15(11-13-16)14-20-19-21-17-8-6-7-9-18(17)22(19)3/h6-14H,4-5H2,1-3H3/p+1/b20-14+

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)=36.8197 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.421 g/mol  logS: -4.78251  SlogP: 3.9484  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0190496  Sterimol/B1: 2.2217  Sterimol/B2: 2.4413  Sterimol/B3: 4.27655
  Sterimol/B4: 6.48008  Sterimol/L: 18.3183 
 
 Surface and Volume Properties
  Accessible surface: 602.252  Positive charged surface: 430.762  Negative charged surface: 171.49  Volume: 331.625
  Hydrophobic surface: 464.681  Hydrophilic surface: 137.571
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 2
  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:  
   

Ions/Tautomers related molecules


MMs02195151
NANOSIN-ZINC01506499