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


CHEMBRIDGE-ZINC04197264

 MMsINC code: MMs00766073
Type: Neutral
Formula: C18H21NO2
SMILES:   O(C)c1ccc(cc1)C(=O)C(N(C)C)Cc1ccccc1
InChI:   InChI=1/C18H21NO2/c1-19(2)17(13-14-7-5-4-6-8-14)18(20)15-9-11-16(21-3)12-10-15/h4-12,17H,13H2,1-3H3/t17-/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)=120.084 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.371 g/mol  logS: -3.46743  SlogP: 3.05077  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0720092  Sterimol/B1: 2.17911  Sterimol/B2: 2.34741  Sterimol/B3: 4.94975
  Sterimol/B4: 8.15751  Sterimol/L: 15.2681 
 
 Surface and Volume Properties
  Accessible surface: 527.733  Positive charged surface: 364.285  Negative charged surface: 163.448  Volume: 295.375
  Hydrophobic surface: 503.93  Hydrophilic surface: 23.803
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs00766074
CHEMBRIDGE-ZINC04197264