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


ENAMINE-ZINC04189840

 MMsINC code: MMs01532619
Type: Neutral
Formula: C19H21NO
SMILES:   O=C(\C=C\c1ccc(N(C)C)cc1)c1ccc(cc1)CC
InChI:   InChI=1/C19H21NO/c1-4-15-5-10-17(11-6-15)19(21)14-9-16-7-12-18(13-8-16)20(2)3/h5-14H,4H2,1-3H3/b14-9+

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)=97.0378 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.383 g/mol  logS: -4.88006  SlogP: 4.21107  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0122178  Sterimol/B1: 2.06414  Sterimol/B2: 2.79338  Sterimol/B3: 3.46371
  Sterimol/B4: 6.29389  Sterimol/L: 18.6347 
 
 Surface and Volume Properties
  Accessible surface: 582.269  Positive charged surface: 371.931  Negative charged surface: 210.337  Volume: 302
  Hydrophobic surface: 524.097  Hydrophilic surface: 58.172
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: no related molecules available.