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


CHEMBRIDGE-ZINC01771490

 MMsINC code: MMs00696068
Type: Neutral
Formula: C14H22N2O2
SMILES:   O(CC(=O)NCCN(CC)CC)c1ccccc1
InChI:   InChI=1/C14H22N2O2/c1-3-16(4-2)11-10-15-14(17)12-18-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,15,17)

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)=57.5619 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.342 g/mol  logS: -2.16014  SlogP: 1.5234  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0313916  Sterimol/B1: 2.35576  Sterimol/B2: 3.10044  Sterimol/B3: 3.68662
  Sterimol/B4: 6.10103  Sterimol/L: 17.5544 
 
 Surface and Volume Properties
  Accessible surface: 548.782  Positive charged surface: 379.964  Negative charged surface: 168.818  Volume: 266
  Hydrophobic surface: 443.024  Hydrophilic surface: 105.758
 
 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


MMs00696069
CHEMBRIDGE-ZINC01771490