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


AURORAFEINCHEMIE-ZINC06780172

 MMsINC code: MMs00481882
Type: Neutral
Formula: C19H22N2O
SMILES:   O=C(N1CC(Cc2ccccc2)C(N)CC1)c1ccccc1
InChI:   InChI=1/C19H22N2O/c20-18-11-12-21(19(22)16-9-5-2-6-10-16)14-17(18)13-15-7-3-1-4-8-15/h1-10,17-18H,11-14,20H2/t17-,18+/m0/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)=78.5685 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.398 g/mol  logS: -3.37269  SlogP: 2.71867  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104443  Sterimol/B1: 2.42682  Sterimol/B2: 3.54731  Sterimol/B3: 3.71292
  Sterimol/B4: 7.76077  Sterimol/L: 15.1199 
 
 Surface and Volume Properties
  Accessible surface: 543.851  Positive charged surface: 339.198  Negative charged surface: 204.653  Volume: 304
  Hydrophobic surface: 468.886  Hydrophilic surface: 74.965
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00481883
AURORAFEINCHEMIE-ZINC06780172