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


PUBCHEM-ZINC06522786

 MMsINC code: MMs03781054
Type: Neutral
Formula: C20H23N3
SMILES:   n1c2c(cccc2)c(NCCN(C)C)cc1-c1ccc(cc1)C
InChI:   InChI=1/C20H23N3/c1-15-8-10-16(11-9-15)19-14-20(21-12-13-23(2)3)17-6-4-5-7-18(17)22-19/h4-11,14H,12-13H2,1-3H3,(H,21,22)

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)=102.156 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.425 g/mol  logS: -4.53687  SlogP: 4.18372  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0230403  Sterimol/B1: 2.40791  Sterimol/B2: 2.94578  Sterimol/B3: 3.34626
  Sterimol/B4: 10.9349  Sterimol/L: 15.9592 
 
 Surface and Volume Properties
  Accessible surface: 606.321  Positive charged surface: 409.71  Negative charged surface: 185.991  Volume: 325.75
  Hydrophobic surface: 573.559  Hydrophilic surface: 32.762
 
 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:  
   

Ions/Tautomers related molecules


MMs03781055
PUBCHEM-ZINC06522786