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


IBS-ZINC02434738

 MMsINC code: MMs01863123
Type: Neutral
Formula: C14H20N2O
SMILES:   O=C(N(C)C)CC1N(CCc2c1cccc2)C
InChI:   InChI=1/C14H20N2O/c1-15(2)14(17)10-13-12-7-5-4-6-11(12)8-9-16(13)3/h4-7,13H,8-10H2,1-3H3/t13-/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)=67.1135 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.327 g/mol  logS: -1.3887  SlogP: 1.78937  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.240704  Sterimol/B1: 2.2586  Sterimol/B2: 3.13715  Sterimol/B3: 4.34221
  Sterimol/B4: 8.19431  Sterimol/L: 11.347 
 
 Surface and Volume Properties
  Accessible surface: 459.891  Positive charged surface: 374.97  Negative charged surface: 84.9214  Volume: 246
  Hydrophobic surface: 449.597  Hydrophilic surface: 10.294
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs01863124
IBS-ZINC02434738