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


CHEMBRIDGE-ZINC04902394

 MMsINC code: MMs00809873
Type: Neutral
Formula: C17H19NO2
SMILES:   O=C1N(C(C)c2ccccc2)C(=O)C2C1C1CC2CC1
InChI:   InChI=1/C17H19NO2/c1-10(11-5-3-2-4-6-11)18-16(19)14-12-7-8-13(9-12)15(14)17(18)20/h2-6,10,12-15H,7-9H2,1H3/t10-,12-,13+,14-,15-/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)=122.146 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.344 g/mol  logS: -3.79734  SlogP: 2.8742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117597  Sterimol/B1: 2.16613  Sterimol/B2: 3.48671  Sterimol/B3: 4.67242
  Sterimol/B4: 6.95266  Sterimol/L: 13.6355 
 
 Surface and Volume Properties
  Accessible surface: 477.867  Positive charged surface: 288.707  Negative charged surface: 189.16  Volume: 266.125
  Hydrophobic surface: 400.76  Hydrophilic surface: 77.107
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.