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


PUBCHEM-ZINC03635202

MMsINC code: MMs03029341

Type: Neutral
Formula: C19H20N2O
SMILES:   O(C)c1cc2c3CC(NC(c3[nH]c2cc1)c1ccccc1)C
InChI:   InChI=1/C19H20N2O/c1-12-10-16-15-11-14(22-2)8-9-17(15)21-19(16)18(20-12)13-6-4-3-5-7-13/h3-9,11-12,18,20-21H,10H2,1-2H3/t12-,18+/m1/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)=64.7469 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.382 g/mol  logS: -3.89756  SlogP: 3.89557  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.084803  Sterimol/B1: 2.29325  Sterimol/B2: 3.66721  Sterimol/B3: 4.15948
  Sterimol/B4: 9.1953  Sterimol/L: 15.0735 
 
 Surface and Volume Properties
  Accessible surface: 548.006  Positive charged surface: 371.143  Negative charged surface: 171.776  Volume: 300.5
  Hydrophobic surface: 488.601  Hydrophilic surface: 59.405
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03029342
PUBCHEM-ZINC03635202