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


CHEMBRIDGE-ZINC00314542

 MMsINC code: MMs00607201
Type: Neutral
Formula: C19H22FNO2
SMILES:   Fc1cc(NC(=O)CCCc2ccc(OC)cc2C)c(cc1)C
InChI:   InChI=1/C19H22FNO2/c1-13-7-9-16(20)12-18(13)21-19(22)6-4-5-15-8-10-17(23-3)11-14(15)2/h7-12H,4-6H2,1-3H3,(H,21,22)

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)=78.9871 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.388 g/mol  logS: -4.79323  SlogP: 4.41251  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0520664  Sterimol/B1: 2.98968  Sterimol/B2: 3.39386  Sterimol/B3: 4.41757
  Sterimol/B4: 6.91474  Sterimol/L: 18.7225 
 
 Surface and Volume Properties
  Accessible surface: 594.421  Positive charged surface: 382.862  Negative charged surface: 211.56  Volume: 318.375
  Hydrophobic surface: 551.915  Hydrophilic surface: 42.506
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.