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


CHEMBRIDGE-ZINC04272395

 MMsINC code: MMs00767155
Type: Neutral
Formula: C19H22N2O2
SMILES:   O1CCN(CC1)CCNC(=O)c1ccccc1-c1ccccc1
InChI:   InChI=1/C19H22N2O2/c22-19(20-10-11-21-12-14-23-15-13-21)18-9-5-4-8-17(18)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,20,22)

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)=107.466 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.397 g/mol  logS: -4.14676  SlogP: 2.4156  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0520743  Sterimol/B1: 2.55443  Sterimol/B2: 3.26933  Sterimol/B3: 3.66758
  Sterimol/B4: 9.51734  Sterimol/L: 15.7259 
 
 Surface and Volume Properties
  Accessible surface: 587.649  Positive charged surface: 418.787  Negative charged surface: 166.505  Volume: 315.25
  Hydrophobic surface: 551.579  Hydrophilic surface: 36.07
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs00767156
CHEMBRIDGE-ZINC04272395